SCHEMBL6165328

SCHEMBL6165328

C[C@@H](CC(=O)O)c1ccc(NC(=O)Cc2ccc3nc(Nc4ccccc4)oc3c2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.41
ITGA4 P13612 5/20 0.40
ITGB1 P05556 4/20 0.40
IL6 P05231 1/20 0.40
STAT3 P40763 1/20 0.40
GALK1 P51570 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CSNK1D P48730 1/20 0.39
DEGS1 O15121 1/20 0.38
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HDAC6 Q9UBN7 2/20 0.37
PDE4A P27815 1/20 0.36
HDAC3 O15379 1/20 0.36

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
SCHEMBL6164091 1.00 HSD17B10 (0.41) HSD17B10ITGA4ITGB1IL6STAT3
SCHEMBL6170579 0.93 ITGB3 (0.39) HSD17B10ITGA4ITGB1GALK1MEN1
SCHEMBL6165451 0.91 KMT2A (0.42) HSD17B10ITGA4ITGB1GALK1MEN1
SCHEMBL6163093 0.91 P2RY14 (0.42) ITGA4ITGB1MEN1KMT2ANPC1
SCHEMBL6164474 0.91 P2RY14 (0.42) ITGA4ITGB1MEN1KMT2ANPC1
SCHEMBL6164820 0.90 ITGA4 (0.47) ITGA4ITGB1GALK1MEN1KMT2A
SCHEMBL6165024 0.90 GALK1 (0.44) ITGA4ITGB1GALK1CSNK1DNPC1
SCHEMBL6165027 0.90 GALK1 (0.44) ITGA4ITGB1GALK1CSNK1DNPC1
SCHEMBL6165099 0.90 ITGA4 (0.39) HSD17B10ITGA4ITGB1GALK1MEN1
SCHEMBL6167218 0.89 ITGA4 (0.41) HSD17B10ITGA4ITGB1GALK1MEN1

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 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
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 HSD17B10 1996/4885ITGA4 2/4885ITGB1 5/4885

“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.