SCHEMBL6545973

SCHEMBL6545973

C[C@H](NC(=O)NCCC(=O)NCC(=O)NC(CC(=O)O)c1ccc(-c2ccccc2)cc1)c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.52
ITGB3 P05106 7/20 0.52
ITGAV P06756 5/20 0.52
ITGA2B P08514 5/20 0.52
ITGB6 P18564 3/20 0.52
ITGB5 P18084 2/20 0.52
ITGB1 P05556 1/20 0.48
ITGA5 P08648 1/20 0.48
CTSA P10619 2/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
BMP1 P13497 2/20 0.40
PPARG P37231 1/20 0.39
TAOK1 Q7L7X3 1/20 0.39
TAOK3 Q9H2K8 1/20 0.39

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
SCHEMBL6546018 1.00 EPHX2 (0.52) EPHX2ITGB3ITGAVITGA2BITGB6
Trifluoroacetic Acid SCHEMBL6811125 0.95 ITGAV (0.55) EPHX2ITGB3ITGAVITGA2BITGB6
Trifluoroacetic Acid SCHEMBL6806699 0.95 ITGAV (0.55) EPHX2ITGB3ITGAVITGA2BITGB6
SCHEMBL6545248 0.87 ITGAV (0.52) ITGB3ITGAVITGA2BITGB6ITGB5
SCHEMBL6806701 0.87 EPHX2 (0.45) EPHX2ITGB3ITGAVITGA2BITGB6
SCHEMBL6811127 0.87 EPHX2 (0.45) EPHX2ITGB3ITGAVITGA2BITGB6
SCHEMBL6545197 0.86 ITGAV (0.57) EPHX2ITGB3ITGAVITGA2BITGB6
SCHEMBL6545181 0.86 ITGAV (0.57) EPHX2ITGB3ITGAVITGA2BITGB6
SCHEMBL6546020 0.86 ITGAV (0.57) EPHX2ITGB3ITGAVITGA2BITGB6
SCHEMBL6805882 0.84 ITGB3 (0.59) 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 EPHX2 3198/4885ITGB3 13/4885ITGAV 2/4885

“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.