SCHEMBL6166076

SCHEMBL6166076

CCc1cccc(CC)c1Nc1nc2ccc(CC(=O)CNc3ccc(C(C)CC(=O)O)nc3)cc2o1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IL6 P05231 2/20 0.36
STAT3 P40763 2/20 0.36
MAPT P10636 1/20 0.35
ITGA4 P13612 5/20 0.34
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
RAF1 P04049 1/20 0.31
BRAF P15056 1/20 0.31
BUB1 O43683 1/20 0.31

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
SCHEMBL6162941 0.91 ITGA4 (0.38) IL6STAT3MAPTITGA4
SCHEMBL6162695 0.90 IL6 (0.38) IL6STAT3MAPTITGA4LMNA
SCHEMBL6167394 0.86 MAPT (0.42) MAPTPOLB
SCHEMBL6163937 0.86 ITGA4 (0.41) IL6STAT3MAPTITGA4LMNA
SCHEMBL6165940 0.85 NPC1 (0.40) IL6STAT3MAPTITGA4RAF1
SCHEMBL6164188 0.85 ITGA4 (0.39) IL6STAT3MAPTITGA4LMNA
SCHEMBL6168715 0.85 LMNA (0.34) IL6STAT3MAPTITGA4LMNA
SCHEMBL6163435 0.85 ITGA4 (0.38) MAPTITGA4LMNA
SCHEMBL6166080 0.84 ITGA4 (0.34) IL6STAT3MAPTITGA4LMNA
SCHEMBL6164515 0.83 ITGA4 (0.38) IL6STAT3ITGA4

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 1381/4885MAPT 4812/4885

“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.