SCHEMBL4248656

SCHEMBL4248656

COC(=O)[C@H](Cc1ccc(OCC(C)(C)c2ccc3c(n2)N(C(=O)OC(C)(C)C)CCC3)cc1)NC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 16/20 0.43
ITGA5 P08648 14/20 0.43
ITGB3 P05106 6/20 0.43
ITGAV P06756 6/20 0.43
YAP1 P46937 1/20 0.40
ITGA4 P13612 2/20 0.38
ITGB7 P26010 2/20 0.38

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
SCHEMBL4244400 0.88 ITGB1 (0.56) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4071759 0.87 ITGB1 (0.43) ITGB1ITGA5ITGB3ITGAVYAP1
SCHEMBL20025229 0.82 ITGB1 (0.46) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4067036 0.81 ITGAV (0.62) ITGB1ITGA5ITGB3ITGAVITGA4
SCHEMBL20024844 0.81 ITGB1 (0.45) ITGB1ITGA5ITGB3ITGAV
SCHEMBL30449346 0.81 ITGB1 (0.45) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4248878 0.80 ITGB1 (0.48) ITGB1ITGA5ITGB3ITGAVYAP1
SCHEMBL22923292 0.77 ITGAV (0.46) ITGB1ITGA5ITGB3ITGAVITGA4
SCHEMBL20025319 0.76 ITGB3 (0.46) ITGB1ITGA5ITGB3ITGAVYAP1
SCHEMBL4244396 0.76 ITGB1 (0.62) ITGB1ITGA5ITGB3ITGAV

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
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-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 (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-20080045521-A1 PHENYLALANINE DERIVATIVES ITGB5, ITGB1, ITGA2B ITGB1 2/4885ITGA5 7/4885ITGB3 6/4885

“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.