SCHEMBL6545294

SCHEMBL6545294

O=C(O)CC(NC(=O)CNC(=O)CCNC(=O)Nc1ccccc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.59
ITGAV P06756 6/20 0.59
ITGA2B P08514 3/20 0.59
ITGB6 P18564 3/20 0.59
ITGB5 P18084 2/20 0.59
CASR P41180 2/20 0.50
FOLH1 Q04609 1/20 0.44
CTSA P10619 3/20 0.43
CNR1 P21554 1/20 0.42
ITGB1 P05556 1/20 0.41
ITGA5 P08648 1/20 0.41
UTS2R Q9UKP6 1/20 0.41
RORC P51449 1/20 0.41
F7 P08709 2/20 0.41
F2 P00734 1/20 0.41

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
SCHEMBL6545844 0.95 ITGAV (0.61) ITGB3ITGAVITGA2BITGB6ITGB5
Trifluoroacetic Acid SCHEMBL6546323 0.94 ITGAV (0.54) ITGB3ITGAVITGA2BITGB6ITGB5
SCHEMBL6546024 0.94 ITGAV (0.66) ITGB3ITGAVITGA2BITGB6ITGB5
SCHEMBL6545220 0.90 CASR (0.53) ITGB3ITGAVITGA2BITGB6ITGB5
Trifluoroacetic Acid SCHEMBL6545782 0.89 ITGAV (0.56) ITGB3ITGAVITGA2BITGB6ITGB5
SCHEMBL6802152 0.89 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB6ITGB5
Trifluoroacetic Acid SCHEMBL6545655 0.88 ITGAV (0.60) ITGB3ITGAVITGA2BITGB6ITGB5
SCHEMBL6546439 0.88 ITGAV (0.57) ITGB3ITGAVITGA2BITGB6ITGB5
SCHEMBL6545895 0.88 CASR (0.55) ITGB3ITGAVITGA2BITGB6ITGB5
SCHEMBL6546349 0.87 ITGB3 (0.61) ITGB3ITGAVITGA2BITGB6ITGB5

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 ITGB3 13/4885ITGAV 2/4885ITGA2B 9/4885

“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.