SCHEMBL3209880

SCHEMBL3209880

COc1cccc(NC(=O)c2ccccc2C(=O)O)c1

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.73
GAA P10253 1/20 0.73
NPC1 O15118 6/20 0.72
RAB9A P51151 6/20 0.72
NLRP3 Q96P20 1/20 0.71
KMT2A Q03164 5/20 0.69
SMN1; SMN2 Q16637 3/20 0.68
TP53 P04637 2/20 0.68
ALDH1A1 P00352 3/20 0.67
MEN1 O00255 3/20 0.67
POLB P06746 1/20 0.67
HPGD P15428 1/20 0.64
TRPV1 Q8NER1 1/20 0.64
KCNK3 O14649 2/20 0.64
KCNK9 Q9NPC2 2/20 0.64
RXFP1 Q9HBX9 1/20 0.64
PKM P14618 1/20 0.62
MAPT P10636 1/20 0.62

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
SCHEMBL13927139 0.87 HPSE (0.68) KDM4EGAARAB9AKMT2AALDH1A1
SCHEMBL4436642 0.85 KCNK3 (0.77) KDM4EGAANPC1RAB9ANLRP3
SCHEMBL1337522 0.85 PLAU (0.65) KDM4EGAANPC1RAB9AKMT2A
SCHEMBL13927138 0.84 ALDH1A1 (0.81) KDM4EKMT2ASMN1; SMN2TP53ALDH1A1
SCHEMBL1499642 0.84 RAB9A (1.00) KDM4EGAANPC1RAB9ANLRP3
SCHEMBL30758588 0.84 RAB9A (1.00) KDM4EGAANPC1RAB9ANLRP3
SCHEMBL28498495 0.84 RAB9A (0.71) KDM4EGAANPC1RAB9ANLRP3
SCHEMBL30726106 0.84 NPC1 (0.71) KDM4EGAANPC1RAB9ANLRP3
SCHEMBL9208778 0.84 NPC1 (0.71) KDM4EGAANPC1RAB9ANLRP3
SCHEMBL27941961 0.84 RAB9A (0.71) KDM4EGAANPC1RAB9ANLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11045476-B2 Compounds and methods for inducing chondrogenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2021-06-29 US disclosed
US-20200188407-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE SCRIPPS RESEARCH INSTITUTE 2020-06-18 US disclosed
US-9452170-B2 Compounds and methods for inducing chondrogenesis THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2016-09-27 US disclosed
US-20160045514-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2016-02-18 US disclosed
US-20100048536-A1 Novel Substituted Diaryl Azepine Derivatives as Integrin Ligands GENESTE HERVE 2010-02-25 US disclosed
US-20040077638-A1 Novel integrin receptor antagonists BASF AKTIENGESELLCHAFT (DE) 2004-04-22 US disclosed
EP-1307443-A2 NOVEL SUBSTITUTED DIARYL AZEPINE DERIVATIVES AS INTEGRIN LIGANDS BASF AKTIENGESELLSCHAFT (DE) 2003-05-07 EP disclosed
WO-2002014320-A2 NOVEL SUBSTITUTED DIARYL AZEPINE DERIVATIVES AS INTEGRIN LIGANDS BASF AKTIENGESELLSCHAFT (DE) 2002-02-21 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 (5 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-20100048536-A1 Novel Substituted Diaryl Azepine Derivatives as Integrin Ligands ITGB3, ITGAL, ITGB4 KDM4E 1561/4885GAA 3334/4885NPC1 3058/4885
US-20040077638-A1 Novel integrin receptor antagonists ITGB3, ITGAV, ITGA2B KDM4E 3784/4885GAA 3247/4885NPC1 3553/4885
US-11045476-B2 Compounds and methods for inducing chondrogenesis COL2A1, BMP4, COL1A1 KDM4E 3497/4885GAA 2935/4885NPC1 3474/4885
US-20160045514-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, COL1A1 KDM4E 3497/4885GAA 2935/4885NPC1 3474/4885
US-20200188407-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, COL1A1 KDM4E 3497/4885GAA 2935/4885NPC1 3474/4885

“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.