SCHEMBL6165099

SCHEMBL6165099

CC(C)c1ccccc1Nc1nc2ccc(CC(=O)Nc3ccc(C(C)CC(=O)O)cn3)cc2o1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 10/20 0.39
ITGB1 P05556 4/20 0.39
GALK1 P51570 2/20 0.39
SOAT1 P35610 1/20 0.38
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CSNK1D P48730 1/20 0.36
MAPT P10636 1/20 0.36
DEGS1 O15121 1/20 0.35
RIOK2 Q9BVS4 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 0.91 ITGA4 (0.47) ITGA4ITGB1GALK1MEN1KMT2A
SCHEMBL6165024 0.91 GALK1 (0.44) ITGA4ITGB1GALK1CSNK1DMAPT
SCHEMBL6165027 0.91 GALK1 (0.44) ITGA4ITGB1GALK1CSNK1DMAPT
SCHEMBL6164207 0.91 ITGA4 (0.38) ITGA4ITGB1GALK1SOAT1
SCHEMBL6164091 0.90 HSD17B10 (0.41) ITGA4ITGB1GALK1HSD17B10MEN1
SCHEMBL6165328 0.90 HSD17B10 (0.41) ITGA4ITGB1GALK1HSD17B10MEN1
SCHEMBL6162500 0.89 ITGA4 (0.46) ITGA4ITGB1GALK1HSD17B10MEN1
SCHEMBL6162487 0.89 ITGA4 (0.46) ITGA4ITGB1GALK1HSD17B10MEN1
SCHEMBL6167411 0.89 IDO1 (0.38) ITGA4ITGB1GALK1HSD17B10MEN1
SCHEMBL6161852 0.88 ITGA4 (0.42) ITGA4ITGB1GALK1MEN1KMT2A

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 5/4885GALK1 2413/4885

“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.