SCHEMBL6161852

SCHEMBL6161852

Cc1cccc(Nc2nc3ccc(CC(=O)Nc4ccc(C(C)CC(=O)O)cn4)cc3o2)c1C

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 11/20 0.42
ITGB1 P05556 5/20 0.42
TP53 P04637 2/20 0.42
MAPT P10636 1/20 0.39
FFAR1 O14842 1/20 0.38
GALK1 P51570 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL6164820 0.94 ITGA4 (0.47) ITGA4ITGB1TP53MAPTGALK1
SCHEMBL6167218 0.91 ITGA4 (0.41) ITGA4ITGB1TP53FFAR1GALK1
SCHEMBL6161757 0.91 ITGA4 (0.40) ITGA4ITGB1TP53MAPTFFAR1
SCHEMBL6165027 0.88 GALK1 (0.44) ITGA4ITGB1MAPTGALK1
SCHEMBL6165099 0.88 ITGA4 (0.39) ITGA4ITGB1MAPTGALK1MEN1
SCHEMBL6165024 0.88 GALK1 (0.44) ITGA4ITGB1MAPTGALK1
SCHEMBL6165328 0.87 HSD17B10 (0.41) ITGA4ITGB1GALK1MEN1KMT2A
SCHEMBL6164091 0.87 HSD17B10 (0.41) ITGA4ITGB1GALK1MEN1KMT2A
SCHEMBL6162487 0.87 ITGA4 (0.46) ITGA4ITGB1TP53GALK1MEN1
SCHEMBL6162500 0.87 ITGA4 (0.46) ITGA4ITGB1TP53GALK1MEN1

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 5/4885TP53 3768/4885

“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.