Benzoylpas

Benzoylpas

SCHEMBL192449

O.O.O.O.O.O=C(Nc1ccc(C(=O)[O-])c(O)c1)c1ccccc1.O=C(Nc1ccc(C(=O)[O-])c(O)c1)c1ccccc1.[Ca+2]

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO

The experimentally established mechanism targets of Benzoylpas. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 known ✓ O14649 1/20 0.54
▸ KCNK9 known ✓ Q9NPC2 1/20 0.54
▸ MEN1 known ✓ O00255 2/20 0.49
▸ KMT2A Q03164 4/20 0.73
▸ PKM P14618 1/20 0.73
▸ MAPT P10636 2/20 0.63
▸ KDM4E B2RXH2 2/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ ALOX15 P16050 1/20 0.52
▸ NPC1 O15118 7/20 0.51
▸ RAB9A P51151 7/20 0.51
▸ SIRT6 Q8N6T7 1/20 0.51
▸ PTPN1 P18031 1/20 0.50
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ SIRT1 Q96EB6 2/20 0.49
▸ TP53 P04637 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Benzoylpas SCHEMBL1649155 0.98 KMT2A (0.75) KMT2APKMMAPTKDM4EMAPK1
Benzoylpas SCHEMBL8748162 0.95 KMT2A (0.75) KMT2APKMMAPTKDM4EMAPK1
Benzoylpas SCHEMBL563122 0.84 KMT2A (1.00) KMT2APKMMAPTKDM4EMAPK1
Benzoylpas SCHEMBL8748163 0.83 KMT2A (0.97) KMT2APKMMAPTKDM4EMAPK1
Benzoylpas SCHEMBL9770542 0.83 KMT2A (0.97) KMT2APKMMAPTKDM4EMAPK1
Benzoylpas SCHEMBL29353120 0.83 KMT2A (0.97) KMT2APKMMAPTKDM4EMAPK1
SCHEMBL11793228 0.79 KMT2A (0.73) KMT2APKMMAPTKDM4EMAPK1
SCHEMBL27296254 0.78 KMT2A (0.87) KMT2APKMMAPTKDM4EMAPK1
SCHEMBL30772317 0.78 KMT2A (0.87) KMT2APKMMAPTKDM4EMAPK1
SCHEMBL3296397 0.77 KMT2A (0.83) KMT2APKMMAPTKDM4EMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 376 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130252945-A1 AMORPHOUS BIOINORGANIC IONIC LIQUID COMPOSITIONS COMPRISING PHARMACEUTICALS LOS ALAMOS NAT SECURITY LLC (US) 2013-09-26 — — US claimed
US-20120093759-A1 Medical Devices, Wound Dressings, and Methods for Dressing Wounds VACHON DAVID J (US) 2012-04-19 — — US claimed
WO-2009059191-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF EAR CANAL INFECTION AND INFLAMMATION EVERETT LABORATORIES, INC. (US) 2009-05-07 — — WO claimed
US-20090111780-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF EAR CANAL INFECTION AND INFLAMMATION EVERETT LABORATORIES, INC. 2009-04-30 — — US claimed
CN-101326275-A Multifunctional ionic liquid composition UNIV ALABAMA (US) 2008-12-17 — — CN claimed
EP-1931760-A2 MULTI-FUNCTIONAL IONIC LIQUID COMPOSITIONS The University of Alabama (US) 2008-06-18 — — EP claimed
US-20070093462-A1 Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA 2007-04-26 — — US claimed
WO-2007044693-A2 MULTI-FUNCTIONAL IONIC LIQUID COMPOSITIONS THE UNIVERSITY OF ALABAMA (US) 2007-04-19 — — WO claimed
CN-1826129-A Methods and compositions relating to isoleucine boroproline compounds POINT THERAPEUTICS INC (US) 2006-08-30 — — CN claimed
EP-1578434-A2 METHODS AND COMPOSITIONS RELATING TO ISOLEUCINE BOROPROLINE COMPOUNDS Point Therapeutics, Inc. (US) 2005-09-28 — — EP claimed
US-20040077601-A1 Methods and compositions relating to isoleucine boroproline compounds POINT THERAPEUTICS, INC. 2004-04-22 — — US claimed
WO-2004004658-A2 METHODS AND COMPOSITIONS RELATING TO ISOLEUCINE BOROPROLINE COMPOUNDS POINT THERAPEUTICS, INC. (US) 2004-01-15 — — WO claimed
US-20260146063-A1 CYCLIC CELL PENETRATING PEPTIDES AND METHODS OF MAKING AND USING THEREOF OHIO STATE INNOVATION FOUNDATION (US) 2026-05-28 — — US disclosed
US-20260125426-A1 CYCLIC CELL-PENETRATING PEPTIDES AND USES THEREOF OHIO STATE INNOVATION FOUNDATION (US) 2026-05-07 — — US disclosed
EP-3958767-B1 DEVICES FOR DELIVERING THERAPEUTIC MATERIALS TO THE INTERVERTEBRAL DISC WARSAW ORTHOPEDIC INC (US) 2026-04-22 — — EP disclosed
US-12582455-B2 Bone material dispensing device WARSAW ORTHOPEDIC, INC. (US) 2026-03-24 — — US disclosed
EP-1341527-A1 PHARMACEUTICAL PREPARATION COMPRISING AN ACTIVE DISPERSED ON A MATRIX ALTANA Pharma AG (DE) 2003-09-10 — — EP disclosed
EP-1282416-A2 DEHYDROASCORBIC ACID FORMULATIONS AND USES THEREOF PROGENICS PHARMACEUTICALS, INC. (US) 2003-02-12 — — EP disclosed
WO-2002045693-A1 PHARMACEUTICAL PREPARATION COMPRISING AN ACTIVE DISPERSED ON A MATRIX ALTANA PHARMA AG (DE) 2002-06-13 — — WO disclosed
WO-2001089520-A2 DEHYDROASCORBIC ACID FORMULATIONS AND USES THEREOF PROGENICS PHARMACEUTICALS, INC. (US) 2001-11-29 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070093462-A1 Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients SLC5A6, PNLIP, IPMK KCNK3 3663/4885KCNK9 3734/4885MEN1 3114/4885
US-20260146063-A1 CYCLIC CELL PENETRATING PEPTIDES AND METHODS OF MAKING AND USING THEREOF VIP, SLC7A1, SLC6A15 KCNK3 2201/4885KCNK9 1994/4885MEN1 1825/4885
US-20260125426-A1 CYCLIC CELL-PENETRATING PEPTIDES AND USES THEREOF SLC7A1, TAP1, SLC7A5 KCNK3 3720/4885KCNK9 3562/4885MEN1 4713/4885
US-12582455-B2 Bone material dispensing device BMP2, BMP4, BMP1 KCNK3 917/4885KCNK9 1044/4885MEN1 1930/4885
US-20130252945-A1 AMORPHOUS BIOINORGANIC IONIC LIQUID COMPOSITIONS COMPRISING PHARMACEUTICALS MCOLN1, PYM1, MCOLN2 KCNK3 764/4885KCNK9 414/4885MEN1 24/4885
US-20040077601-A1 Methods and compositions relating to isoleucine boroproline compounds BCAT1, BCAT2, APOB KCNK3 2767/4885KCNK9 3304/4885MEN1 1014/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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