SCHEMBL4398900

SCHEMBL4398900

CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3ccc(-n4cccn4)cc3Cl)C(=O)O)cc2)n1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.75
ITGB1 P05556 20/20 0.75
ITGAV P06756 20/20 0.75
ITGA5 P08648 20/20 0.75

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
SCHEMBL4065095 0.88 ITGB1 (0.76) ITGB3ITGB1ITGAVITGA5
SCHEMBL4069314 0.87 ITGB3 (0.85) ITGB3ITGB1ITGAVITGA5
SCHEMBL4065558 0.86 ITGB3 (0.84) ITGB3ITGB1ITGAVITGA5
SCHEMBL4254386 0.86 ITGB1 (0.73) ITGB3ITGB1ITGAVITGA5
SCHEMBL4067631 0.86 ITGB3 (1.00) ITGB3ITGB1ITGAVITGA5
SCHEMBL4199513 0.85 ITGB3 (0.81) ITGB3ITGB1ITGAVITGA5
SCHEMBL4073111 0.84 ITGB1 (1.00) ITGB3ITGB1ITGAVITGA5
SCHEMBL4069758 0.84 ITGB3 (0.79) ITGB3ITGB1ITGAVITGA5
SCHEMBL4066396 0.83 ITGB3 (0.84) ITGB3ITGB1ITGAVITGA5
SCHEMBL4920323 0.83 ITGB3 (0.80) ITGB3ITGB1ITGAVITGA5

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-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US claimed
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
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 ITGB3 6/4885ITGB1 2/4885ITGAV 17/4885

“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.