SCHEMBL6545171

SCHEMBL6545171

COc1ccc(CNC(=O)NCCCCC(=O)NCC(=O)NC(CC(=O)O)c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 5/20 0.57
ITGB3 P05106 4/20 0.57
ITGB6 P18564 3/20 0.57
ITGA2B P08514 2/20 0.57
ITGB5 P18084 2/20 0.57
CASR P41180 1/20 0.50
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
PLA2G1B P04054 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ADAMTS5 Q9UNA0 1/20 0.42

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
SCHEMBL6545129 0.97 ITGAV (0.56) ITGAVITGB3ITGB6ITGA2BITGB5
Trifluoroacetic Acid SCHEMBL6805975 0.95 ITGAV (0.53) ITGAVITGB3ITGB6ITGA2BITGB5
Trifluoroacetic Acid SCHEMBL6810554 0.93 ITGAV (0.51) ITGAVITGB3ITGB6ITGA2BITGB5
SCHEMBL6545544 0.90 ITGAV (0.60) ITGAVITGB3ITGB6ITGA2BITGB5
SCHEMBL6546023 0.89 ITGB3 (0.58) ITGAVITGB3ITGB6ITGA2BITGB5
SCHEMBL6545567 0.89 ITGAV (0.60) ITGAVITGB3ITGB6ITGA2BITGB5
SCHEMBL6805978 0.88 ITGAV (0.45) ITGAVITGB3ITGB6ITGA2BITGB5
SCHEMBL6546521 0.88 ITGAV (0.63) ITGAVITGB3ITGB6ITGA2BITGB5
SCHEMBL6545299 0.88 ITGAV (0.58) ITGAVITGB3ITGB6ITGA2BITGB5
SCHEMBL6546550 0.86 ITGB3 (0.54) ITGAVITGB3ITGB6ITGA2BITGB5

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
US-20040142877-A1 Ligands of the $g(a)v$g(b)6 integrin MERCK PATENT GMBH (DE) 2004-07-22 US claimed
EP-1379495-A2 LIGANDS OF THE ALPHA-V-BETA 6 INTEGRIN MERCK PATENT GmbH (DE) 2004-01-14 EP claimed
WO-2002083627-A2 LIGANDS DES INTEGRINS AVSS6 MERCK PATENT GMBH (DE) 2002-10-24 WO claimed
US-20040142877-A1 Ligands of the $g(a)v$g(b)6 integrin MERCK PATENT GMBH (DE) 2004-07-22 US disclosed
EP-1379495-A2 LIGANDS OF THE ALPHA-V-BETA 6 INTEGRIN MERCK PATENT GmbH (DE) 2004-01-14 EP disclosed
WO-2002083627-A2 LIGANDS DES INTEGRINS AVSS6 MERCK PATENT GMBH (DE) 2002-10-24 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-20040142877-A1 Ligands of the $g(a)v$g(b)6 integrin ITGB6, ITGAV, ITGB1 ITGAV 2/4885ITGB3 13/4885ITGB6 1/4885

“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.