SCHEMBL6165027

SCHEMBL6165027

C[C@@H](CC(=O)O)c1ccc(NC(=O)Cc2ccc3nc(Nc4ccccc4Cl)oc3c2)nc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GALK1 P51570 9/20 0.44
MAPT P10636 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CSNK1D P48730 1/20 0.40
ITGA4 P13612 5/20 0.39
ITGB1 P05556 3/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38

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
SCHEMBL6165024 1.00 GALK1 (0.44) GALK1MAPTNPC1RAB9ACSNK1D
SCHEMBL6164820 0.91 ITGA4 (0.47) GALK1MAPTNPC1RAB9AITGA4
SCHEMBL6165099 0.91 ITGA4 (0.39) GALK1MAPTCSNK1DITGA4ITGB1
SCHEMBL6161780 0.91 NPC1 (0.40) GALK1NPC1RAB9AITGA4ITGB1
SCHEMBL6164091 0.90 HSD17B10 (0.41) GALK1NPC1RAB9ACSNK1DITGA4
SCHEMBL6165328 0.90 HSD17B10 (0.41) GALK1NPC1RAB9ACSNK1DITGA4
SCHEMBL6162487 0.89 ITGA4 (0.46) GALK1ITGA4ITGB1JAK2JAK1
SCHEMBL6162500 0.89 ITGA4 (0.46) GALK1ITGA4ITGB1JAK2JAK1
SCHEMBL6167411 0.89 IDO1 (0.38) GALK1ITGA4ITGB1
SCHEMBL6161852 0.88 ITGA4 (0.42) GALK1MAPTITGA4ITGB1

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 GALK1 2413/4885MAPT 4812/4885NPC1 1419/4885

“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.