SCHEMBL4200668

SCHEMBL4200668

COC(=O)[C@@H](N)Cc1ccc(OCCc2ccc3c(n2)NCCC3)cc1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.65
ITGAV P06756 18/20 0.65
ITGB6 P18564 9/20 0.65
ITGB5 P18084 5/20 0.65
ITGA2B P08514 1/20 0.65
ITGB1 P05556 2/20 0.61
ITGA5 P08648 1/20 0.61
PPARG P37231 2/20 0.54
PPARD Q03181 2/20 0.54
PPARA Q07869 2/20 0.54

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
SCHEMBL4193839 0.92 ITGB3 (0.56) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL4786884 0.89 ITGB3 (0.71) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL4245742 0.87 ITGB1 (0.58) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL6729630 0.87 ITGAV (0.59) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL4197149 0.85 ITGAV (0.51) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL6224024 0.85 ITGAV (0.65) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL4196174 0.84 ITGB3 (0.62) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL4241332 0.84 ITGAV (0.69) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL4788028 0.84 ITGAV (0.47) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL4191727 0.83 ITGB1 (0.50) ITGB3ITGAVITGB6ITGB5ITGA2B

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 14 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
WO-2008093064-A1 L-ALANINE DERIVATIVES AS α5 BETA 1 ANTAGONISTS ASTRAZENECA AB (SE) 2008-08-07 WO disclosed
US-20080182842-A1 L-alanine derivatives as a5beta1 antagonists ASTRAZENECA AB (SE) 2008-07-31 US disclosed
US-20080182842-A1 L-alanine derivatives as a5beta1 antagonists ASTRAZENECA AB (SE) 2008-07-31 US disclosed
US-20080182842-A1 L-alanine derivatives as a5beta1 antagonists ASTRAZENECA AB (SE) 2008-07-31 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
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 (3 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 ITGB3 6/4885ITGAV 17/4885ITGB6 10/4885
US-20090062267-A1 L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ITGA2B, ITGB1, ITGAL ITGB3 12/4885ITGAV 9/4885ITGB6 14/4885
US-20080182842-A1 L-alanine derivatives as a5beta1 antagonists ITGB1, ITGA2B, ITGB5 ITGB3 10/4885ITGAV 7/4885ITGB6 14/4885

“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.