SCHEMBL6162500

SCHEMBL6162500

COc1ccccc1Nc1nc2ccc(CC(=O)Nc3ccc([C@@H](C)CC(=O)O)cn3)cc2o1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 7/20 0.46
ITGB1 P05556 3/20 0.46
JAK2 O60674 2/20 0.41
JAK1 P23458 2/20 0.41
TYK2 P29597 2/20 0.41
JAK3 P52333 2/20 0.41
WNT3A P56704 1/20 0.39
MET P08581 1/20 0.39
GALK1 P51570 3/20 0.38
TP53 P04637 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDR P35968 1/20 0.38
ALK Q9UM73 1/20 0.38
ABL1 P00519 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL6162487 1.00 ITGA4 (0.46) ITGA4ITGB1JAK2JAK1TYK2
SCHEMBL6165109 0.91 ITGB1 (0.41) ITGA4ITGB1WNT3AGALK1TP53
SCHEMBL6163902 0.91 JAK2 (0.41) ITGA4ITGB1JAK2JAK1TYK2
SCHEMBL6164820 0.90 ITGA4 (0.47) ITGA4ITGB1GALK1TP53MEN1
SCHEMBL6165099 0.89 ITGA4 (0.39) ITGA4ITGB1GALK1MEN1KMT2A
SCHEMBL6165027 0.89 GALK1 (0.44) ITGA4ITGB1JAK2JAK1TYK2
SCHEMBL6165024 0.89 GALK1 (0.44) ITGA4ITGB1JAK2JAK1TYK2
SCHEMBL6164091 0.88 HSD17B10 (0.41) ITGA4ITGB1GALK1MEN1KMT2A
SCHEMBL6165328 0.88 HSD17B10 (0.41) ITGA4ITGB1GALK1MEN1KMT2A
SCHEMBL6167411 0.87 IDO1 (0.38) ITGA4ITGB1WNT3AGALK1MEN1

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 6 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 claimed
US-6706738-B2 ANTIARTHRITIC AGENTS; ANTIINFLAMMATORY AGENTS AVENTIS PHARMA LIMITED (GB) 2004-03-16 US claimed
US-20020173506-A1 Substituted bicyclic heteroaryl compounds and their use as integrin antagonists AVENTIS PHARMA LIMITED (GB) 2002-11-21 US claimed
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

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 5/4885JAK2 2258/4885

“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.