SCHEMBL6165215

SCHEMBL6165215

Cc1cccc(C)c1Nc1nc2ccc(CC(=O)Nc3ccc(C(C)CC(=O)O)nc3)cc2o1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 9/20 0.43
ITGB1 P05556 5/20 0.43
CSNK1D P48730 1/20 0.37
TP53 P04637 2/20 0.37
P2RY14 Q15391 2/20 0.36
WNT3A P56704 1/20 0.36
CETP P11597 1/20 0.36
MAPT P10636 1/20 0.36
SOAT1 P35610 1/20 0.36
CEPT1 Q9Y6K0 1/20 0.36

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
SCHEMBL6164253 0.91 ITGA4 (0.43) ITGA4ITGB1CSNK1DTP53MAPT
SCHEMBL6162695 0.91 IL6 (0.38) ITGA4ITGB1CSNK1DP2RY14WNT3A
SCHEMBL6163082 0.91 ITGA4 (0.47) ITGA4ITGB1CSNK1DTP53MAPT
SCHEMBL6165223 0.90 IL6 (0.42) ITGA4ITGB1CSNK1DP2RY14
SCHEMBL6165216 0.90 IL6 (0.42) ITGA4ITGB1CSNK1DP2RY14
SCHEMBL6162941 0.90 ITGA4 (0.38) ITGA4ITGB1TP53MAPT
SCHEMBL6162294 0.87 KMT2A (0.45) P2RY14MAPT
SCHEMBL6165048 0.86 ALDH1A1 (0.41) ITGA4ITGB1CSNK1DTP53
SCHEMBL6165644 0.86 HSD17B10 (0.39) ITGA4ITGB1CSNK1DWNT3A
SCHEMBL6161296 0.86 SOAT1 (0.40) ITGA4ITGB1CSNK1DSOAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1183254-B1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS AS INTEGRIN ANTAGONISTS AVENTIS PHARMA LTD (GB) 2005-01-12 EP disclosed
US-6706738-B2 ANTIARTHRITIC AGENTS; ANTIINFLAMMATORY AGENTS AVENTIS PHARMA LIMITED (GB) 2004-03-16 US disclosed
US-20020173506-A1 Substituted bicyclic heteroaryl compounds and their use as integrin antagonists AVENTIS PHARMA LIMITED (GB) 2002-11-21 US disclosed
EP-1183254-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS AS INTEGRIN ANTAGONISTS Aventis Pharma Limited (GB) 2002-03-06 EP disclosed
WO-2000061580-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS AS INTEGRIN ANTAGONISTS AVENTIS PHARMA LIMITED (GB) 2000-10-19 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 (1 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-20020173506-A1 Substituted bicyclic heteroaryl compounds and their use as integrin antagonists VCAM1, ITGA4, ITGA1 ITGA4 2/4885ITGB1 5/4885CSNK1D 806/4885

“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.