SCHEMBL6168715

SCHEMBL6168715

CCc1cccc(CC)c1Nc1nc2ccc(CC(=O)CNc3ccc(C(C)CC(=O)O)cn3)cc2o1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
FFAR1 O14842 2/20 0.34
IL6 P05231 1/20 0.33
STAT3 P40763 1/20 0.33
ITGA4 P13612 5/20 0.33
GALK1 P51570 1/20 0.33
MAPT P10636 1/20 0.32
TP53 P04637 1/20 0.31
GAA P10253 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
SCHEMBL6163641 0.91 FFAR1 (0.39) FFAR1ITGA4GALK1TP53
SCHEMBL6165464 0.91 HSD17B10 (0.37) LMNAPOLBFFAR1IL6STAT3
SCHEMBL6161757 0.86 ITGA4 (0.40) FFAR1ITGA4GALK1MAPTTP53
SCHEMBL6166076 0.85 IL6 (0.36) LMNAPOLBIL6STAT3ITGA4
SCHEMBL6161780 0.85 NPC1 (0.40) ITGA4GALK1
SCHEMBL6164207 0.85 ITGA4 (0.38) LMNAPOLBFFAR1ITGA4GALK1
SCHEMBL6164652 0.85 MAPT (0.41) POLBFFAR1GALK1MAPTGAA
SCHEMBL6168720 0.84 FFAR1 (0.33) LMNAPOLBFFAR1IL6STAT3
SCHEMBL6163902 0.84 JAK2 (0.41) ITGA4GALK1
SCHEMBL6163261 0.83 SLC22A12 (0.37) ITGA4GALK1

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 LMNA 1222/4885POLB 4118/4885FFAR1 84/4885

“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.