SCHEMBL4196182

SCHEMBL4196182

COC(=O)[C@H](Cc1ccc(CCCc2ccc3c(n2)NCCC3)cn1)NC(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 19/20 0.60
ITGB6 P18564 12/20 0.60
ITGB3 P05106 9/20 0.50
ITGB1 P05556 1/20 0.49
ITGA5 P08648 1/20 0.49
ITGB5 P18084 1/20 0.43
ITGB8 P26012 1/20 0.43

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
SCHEMBL4194399 0.94 ITGAV (0.61) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL4249638 0.92 ITGAV (0.64) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL8226900 0.87 ITGAV (0.58) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL4194446 0.87 ITGAV (0.58) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL4923696 0.85 ITGAV (0.61) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL21311528 0.85 ITGAV (0.57) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL21853263 0.84 ITGAV (0.72) ITGAVITGB6ITGB3
SCHEMBL21853262 0.84 ITGAV (0.72) ITGAVITGB6ITGB3
SCHEMBL29813819 0.84 ITGAV (0.72) ITGAVITGB6ITGB3
SCHEMBL4252196 0.84 ITGB1 (0.71) ITGAVITGB6ITGB3ITGB1ITGA5

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049490-A1 N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL]-L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS Astra Zeneca AB (SE) 2009-04-22 EP disclosed
US-20090062267-A1 L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-20090062267-A1 L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-20090062267-A1 L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ASTRAZENECA AB (SE) 2009-03-05 US disclosed
WO-2008093065-A1 L-ALANINE DERIVATIVES AS α5βL ANTAGONISTS ASTRAZENECA AB (SE) 2008-08-07 WO disclosed
WO-2008093065-A1 L-ALANINE DERIVATIVES AS α5βL ANTAGONISTS ASTRAZENECA AB (SE) 2008-08-07 WO disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
WO-2007141473-A1 N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL] -L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS ASTRAZENECA AB (SE) 2007-12-13 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 (2 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-20080045521-A1 PHENYLALANINE DERIVATIVES ITGB5, ITGB1, ITGA2B ITGAV 17/4885ITGB6 10/4885ITGB3 6/4885
US-20090062267-A1 L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ITGA2B, ITGB1, ITGAL ITGAV 9/4885ITGB6 14/4885ITGB3 12/4885

“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.