SCHEMBL6545181

SCHEMBL6545181

C[C@H](NC(=O)NCCC(=O)NCC(=O)NC(CC(=O)O)c1ccc(-c2ccccc2)cc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 4/20 0.57
ITGB3 P05106 3/20 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
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
EPHX2 P34913 2/20 0.47
TAOK1 Q7L7X3 2/20 0.47
TAOK3 Q9H2K8 2/20 0.47
GPR139 Q6DWJ6 4/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
ITGB1 P05556 1/20 0.42
ITGA5 P08648 1/20 0.42
CTSA P10619 2/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL6546020 1.00 ITGAV (0.57) ITGAVITGB3ITGB6ITGA2BITGB5
SCHEMBL6545197 1.00 ITGAV (0.57) ITGAVITGB3ITGB6ITGA2BITGB5
SCHEMBL6546488 0.95 ITGAV (0.59) ITGAVITGB3ITGB6ITGA2BITGB5
SCHEMBL6546143 0.95 ITGAV (0.59) ITGAVITGB3ITGB6ITGA2BITGB5
SCHEMBL6803712 0.95 ITGAV (0.59) ITGAVITGB3ITGB6ITGA2BITGB5
Trifluoroacetic Acid SCHEMBL6545453 0.94 ITGAV (0.52) ITGAVITGB3ITGB6ITGA2BITGB5
Trifluoroacetic Acid SCHEMBL6808452 0.94 ITGAV (0.52) ITGAVITGB3ITGB6ITGA2BITGB5
Trifluoroacetic Acid SCHEMBL6810377 0.94 ITGAV (0.52) ITGAVITGB3ITGB6ITGA2BITGB5
SCHEMBL6545532 0.94 ITGAV (0.64) ITGAVITGB3ITGB6ITGA2BITGB5
SCHEMBL6546127 0.94 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 4 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
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.