SCHEMBL2468050

SCHEMBL2468050

COP(=O)(OC)C(C)(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
KYNU Q16719 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CTSS P25774 2/20 0.45
ALDH1A1 P00352 2/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
LMNA P02545 2/20 0.43
ELANE P08246 1/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
ALOX15 P16050 1/20 0.43
SYK P43405 1/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL8171689 1.00 MEN1 (0.52) MEN1KMT2AKYNUSMN1; SMN2NPC1
SCHEMBL503402 0.78 MEN1 (0.57) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6380611 0.78 MEN1 (0.57) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL4442846 0.78 KMT2A (0.60) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL843747 0.77 MEN1 (0.57) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL1020935 0.77 MEN1 (0.46) MEN1KMT2AKYNUSMN1; SMN2NPC1
SCHEMBL7297233 0.77 MEN1 (0.50) MEN1KMT2AKYNUSMN1; SMN2NPC1
SCHEMBL20382395 0.76 KMT2A (0.62) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL10806492 0.76 MEN1 (0.63) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7359155 0.76 MEN1 (0.55) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563136-A Cyclic peptide as C5a receptor antagonist 辉瑞公司 2019-04-02 CN disclosed
EP-1675835-B1 METHODS OF PREPARATION OF DEHYDRO-DIKETOPIPERAZINES IN LIQUID PHASE OR ON SOLID SUPPORTED PHASE PRO ACTINA S A (GR) 2011-09-21 EP disclosed
EP-1625153-B1 ACYLATED LYSOBACTIN-TYPE NONADEPSIPEPTIDES AICURIS GMBH & CO KG (DE) 2009-08-26 EP disclosed
US-7368424-B2 Acylated nonadepsipeptides AICURIS GMBH & CO. KG (DE) 2008-05-06 US disclosed
US-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof SMITHKLINE BEECHAM CORPORATION (US) 2007-10-25 US disclosed
EP-1809657-A1 CYCLIC NONAPEPTIDE AMIDES AiCuris GmbH & Co. KG (DE) 2007-07-25 EP disclosed
EP-1675835-A1 METHODS OF PREPARATION OF DEHYDRO-DIKETOPIPERAZINES IN LIQUID PHASE OR OF SOLID SUPPORTED PHASE Couladouros, Elias Andrea (GR) 2006-07-05 EP disclosed
WO-2006048156-A1 CYCLIC NONAPEPTIDE AMIDES AICURIS GMBH & CO. KG (DE) 2006-05-11 WO disclosed
US-7001900-B2 Azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2006-02-21 US disclosed
EP-1625153-A1 ACYLATED LYSOBACTIN-TYPE NONADEPSIPEPTIDES Bayer HealthCare AG (DE) 2006-02-15 EP disclosed
US-20050075281-A1 peptide antibiotics comprising lysobactin derivatives used for treatment and/or prophylaxis of bacterial infectious diseases; cyclic peptides BAYER HEALTHCARE AG (DE) 2005-04-07 US disclosed
WO-2005003102-A1 METHODS OF PREPARATION OF DEHYDRO-DIKETOPIPERAZINES IN LIQUID PHASE OR OF SOLID SUPPORTED PHASE COULADOUROS ELIAS (GR) 2005-01-13 WO disclosed
WO-2004099239-A1 ACYLATED LYSOBACTIN-TYPE NONADEPSIPEPTIDES BAYER HEALTHCARE AG (DE) 2004-11-18 WO disclosed
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
US-20030105089-A1 Substituted 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-06-05 US 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 (4 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-20030105089-A1 Substituted 7-aza[2.2.1]bicycloheptanes for the treatment of disease CHRNA7, CHRNA1, CHRNA6 MEN1 2306/4885KMT2A 793/4885KYNU 1058/4885
US-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof PYGM, PYGL, GYS1 MEN1 4256/4885KMT2A 4148/4885KYNU 4372/4885
US-20050075281-A1 peptide antibiotics comprising lysobactin derivatives used for treatment and/or prophylaxis of bacterial infectious diseases; cyclic peptides VIP, LNPEP, HAMP MEN1 841/4885KMT2A 3838/4885KYNU 1318/4885
US-20030236270-A1 Azabicyclic compounds for the treatment of disease MALT1, TPMT, CYP2B6 MEN1 155/4885KMT2A 1916/4885KYNU 2162/4885

“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.