SCHEMBL4071990

SCHEMBL4071990

COC(=O)[C@H](Cc1ccc(OCCc2cccc(N(C)C(=O)OC(C)(C)C)n2)cn1)NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 7/20 0.44
ITGA5 P08648 7/20 0.44
ITGB3 P05106 7/20 0.44
ITGAV P06756 6/20 0.44
PPARG P37231 3/20 0.40
PPARA Q07869 3/20 0.40
ITGA2B P08514 1/20 0.36
KLK5 Q9Y337 1/20 0.36
CYP4A11 Q02928 2/20 0.36
CYP4F2 P78329 1/20 0.35
PTPN1 P18031 2/20 0.34
SCN9A Q15858 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL4069200 0.87 ITGB1 (0.43) ITGB1ITGA5ITGB3ITGA2BKLK5
SCHEMBL8227097 0.87 ITGB1 (0.43) ITGB1ITGA5ITGB3ITGA2BKLK5
SCHEMBL4068714 0.83 KLK5 (0.35) PPARGPPARAKLK5PTPN1HDAC6
SCHEMBL4068719 0.83 KLK5 (0.35) PPARGPPARAKLK5PTPN1HDAC6
SCHEMBL4067205 0.80 KLK5 (0.44) ITGB1ITGA5ITGB3ITGA2BKLK5
SCHEMBL4074572 0.80 KLK5 (0.44) ITGB1ITGA5ITGB3ITGA2BKLK5
SCHEMBL8228529 0.80 KLK5 (0.44) ITGB1ITGA5ITGB3ITGA2BKLK5
SCHEMBL4919707 0.79 ITGB1 (0.69) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4064751 0.78 ITGAV (0.42) ITGB1ITGA5ITGB3ITGAVKLK5
SCHEMBL23963236 0.78 PPARG (0.44) ITGB3PPARGPPARAITGA2BKLK5

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 11 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
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 ITGB1 2/4885ITGA5 7/4885ITGB3 6/4885
US-20090062267-A1 L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ITGA2B, ITGB1, ITGAL ITGB1 2/4885ITGA5 11/4885ITGB3 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.