Furegrelate

Furegrelate

SCHEMBL635010

O=C([O-])c1cc2cc(Cc3cccnc3)ccc2o1.[Na+]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 1.00
CYP3A4 P08684 2/20 1.00
MEN1 O00255 1/20 1.00
TP53 P04637 1/20 1.00
BLM P54132 1/20 1.00
PIM1 P11309 1/20 0.49
PIM2 Q9P1W9 1/20 0.49
TBXAS1 P24557 11/20 0.47
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
TSHR P16473 1/20 0.44
ALDH1A1 P00352 2/20 0.44
GFER P55789 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
GRM2 Q14416 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41

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
Furegrelate SCHEMBL29439935 1.00 KMT2A (1.00) KMT2ACYP3A4MEN1TP53BLM
Furegrelate SCHEMBL30530940 0.99 KMT2A (0.98) KMT2ACYP3A4MEN1TP53BLM
SCHEMBL11069202 0.90 KMT2A (0.82) KMT2ACYP3A4MEN1TP53BLM
Furegrelate SCHEMBL10953582 0.87 TP53 (0.77) KMT2ACYP3A4MEN1TP53BLM
SCHEMBL10953960 0.87 KMT2A (0.77) KMT2ACYP3A4MEN1TP53BLM
Furegrelate SCHEMBL10451458 0.86 TP53 (0.76) KMT2ACYP3A4MEN1TP53BLM
Furegrelate SCHEMBL10956224 0.86 TP53 (0.76) KMT2ACYP3A4MEN1TP53BLM
SCHEMBL30362902 0.83 KMT2A (0.71) KMT2ACYP3A4MEN1TP53BLM
SCHEMBL28461381 0.83 KMT2A (0.71) KMT2ACYP3A4MEN1TP53BLM
SCHEMBL10957358 0.81 MEN1 (0.68) KMT2ACYP3A4MEN1TP53BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120277178-A1 COMPOSITIONS AND METHODS FOR TREATING FRAGILE X PREMUTATION RVGG REPEATS-MEDIATED TOXICITY EMORY UNIVERSITY (US) 2012-11-01 US claimed
US-8268352-B2 Modified release composition for highly soluble drugs TORRENT PHARMACEUTICALS LIMITED (IN) 2012-09-18 US claimed
US-8263125-B2 Dosage form for high dose-high solubility active ingredients that provides for immediate release and modified release of the active ingredients TORRENT PHARMACEUTICALS LIMITED (IN) 2012-09-11 US claimed
EP-1920773-A1 Compositions for inhibition of anglogenesis The Children's Medical Center Corporation (US) 2008-05-14 EP claimed
EP-1611238-A4 GLUTAMATE TRANSPORT MODULATORY COMPOUNDS AND METHODS UNIV JOHNS HOPKINS (US) 2007-07-04 EP claimed
US-20060121488-A1 Glutamate transport modulatory compounds and methods NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2006-06-08 US claimed
US-20060024365-A1 Novel dosage form VAYA NAVIN 2006-02-02 US claimed
US-20060018933-A1 Novel drug delivery system TORRENT PHARMACEUTICALS LIMITED (IN) 2006-01-26 US claimed
US-20060018934-A1 Novel drug delivery system TORRENT PHARMACEUTICALS LIMITED (IN) 2006-01-26 US claimed
EP-1611238-A2 GLUTAMATE TRANSPORT MODULATORY COMPOUNDS AND METHODS Johns Hopkins University (US) 2006-01-04 EP claimed
EP-1586322-A2 Compositions for inhibition of anglogenesis The Children's Medical Center Corporation (US) 2005-10-19 EP claimed
EP-0963200-B1 COMPOSITIONS FOR INHIBITION OF ANGIOGENESIS COMPRISING THALODOMIDE AND A NSAID CHILDRENS MEDICAL CENTER (US) 2005-09-28 EP claimed
US-20040248820-A1 Methods and compositions for inhibition of angiogenesis D AMATO ROBERT J (US) 2004-12-09 US claimed
WO-2004076675-A2 GLUTAMATE TRANSPORT MODULATORY COMPOUNDS AND METHODS JOHNS HOPKINS UNIVERSITY (US) 2004-09-10 WO claimed
US-20030191098-A1 Methods and compositions for inhibition of angiogenesis D AMATO ROBERT J (US) 2003-10-09 US claimed
JP-2002513391-A 2002-05-08 JP claimed
EP-0963200-A2 METHODS AND COMPOSITIONS FOR INHIBITION OF ANGIOGENESIS The Children's Medical Center Corporation (US) 1999-12-15 EP claimed
WO-1998019649-A2 METHODS AND COMPOSITIONS FOR INHIBITION OF ANGIOGENESIS THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 1998-05-14 WO claimed
US-4925869-A REACTIVATING ENZYME ACETYLCHOLINESTERASE INHIBITED BY LETHAL DOSE OF SOMAN IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-05-15 US claimed
US-4908380-A Substituted 1,3-dioxane ether derivative; thromboxane A2 inhibitor IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-03-13 US claimed

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

For each of this compound's patents that has machine-readable text (2 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-20040248820-A1 Methods and compositions for inhibition of angiogenesis PGF, PTGS1, PTGIS KMT2A 3789/4885CYP3A4 716/4885MEN1 3741/4885
US-20030191098-A1 Methods and compositions for inhibition of angiogenesis PGF, PTGS1, PTGIS KMT2A 3789/4885CYP3A4 716/4885MEN1 3741/4885

“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.