SCHEMBL6162695

SCHEMBL6162695

CCc1cccc(CC)c1Nc1nc2ccc(CC(=O)Nc3ccc(C(C)CC(=O)O)nc3)cc2o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL6 P05231 1/20 0.38
STAT3 P40763 1/20 0.38
ITGB1 P05556 4/20 0.37
ITGA4 P13612 4/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CSNK1D P48730 1/20 0.36
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
SOAT1 P35610 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
P2RY14 Q15391 2/20 0.34
WNT3A P56704 2/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34

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
SCHEMBL6165215 0.91 ITGA4 (0.43) ITGB1ITGA4MAPTCSNK1DSOAT1
SCHEMBL6166076 0.90 IL6 (0.36) IL6STAT3ITGA4MAPTLMNA
SCHEMBL6165216 0.89 IL6 (0.42) IL6STAT3ITGB1ITGA4HSD17B10
SCHEMBL6165223 0.89 IL6 (0.42) IL6STAT3ITGB1ITGA4HSD17B10
SCHEMBL6162294 0.86 KMT2A (0.45) MAPTHSD17B10LMNAPOLBHDAC6
SCHEMBL6164253 0.86 ITGA4 (0.43) ITGB1ITGA4MAPTCSNK1D
SCHEMBL6165048 0.86 ALDH1A1 (0.41) IL6STAT3ITGB1ITGA4HSD17B10
SCHEMBL6163082 0.86 ITGA4 (0.47) ITGB1ITGA4MAPTCSNK1DLMNA
SCHEMBL6165644 0.86 HSD17B10 (0.39) IL6STAT3ITGB1ITGA4HSD17B10
SCHEMBL6161296 0.85 SOAT1 (0.40) IL6STAT3ITGB1ITGA4HSD17B10

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 IL6 2330/4885STAT3 1381/4885ITGB1 5/4885

“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.