SCHEMBL4068005

SCHEMBL4068005

COC(=O)[C@H](Cc1cccc(OCCN(C(=O)OC(C)(C)C)c2ccccn2)c1)NC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 12/20 0.53
ITGA5 P08648 11/20 0.53
ITGB3 P05106 2/20 0.43
ITGAV P06756 2/20 0.43
F2 P00734 4/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KLK5 Q9Y337 1/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ITGA4 P13612 1/20 0.37

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
SCHEMBL4070578 0.92 ITGB1 (0.52) ITGB1ITGA5ITGB3ITGAVMAPT
SCHEMBL14270715 0.89 ITGB1 (0.53) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4070367 0.85 ITGB1 (0.49) ITGB1ITGA5ITGB3ITGAVTRPM8
SCHEMBL8232473 0.85 ITGB1 (0.49) ITGB1ITGA5ITGB3ITGAVTRPM8
SCHEMBL8232289 0.85 TRPM8 (0.48) ITGB1ITGA5ITGB3ITGAVTRPM8
SCHEMBL4075350 0.82 ITGB1 (0.51) ITGB1ITGA5ITGB3ITGAVITGA4
SCHEMBL4248278 0.81 ITGB1 (0.52) ITGB1ITGA5ITGB3ITGAVTRPM8
SCHEMBL4073870 0.81 ITGB1 (0.47) ITGB1ITGA5ITGB3ITGAVITGA4
SCHEMBL4071622 0.79 ITGB1 (0.63) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4073392 0.79 ITGB1 (0.49) ITGB1ITGA5ITGB3ITGAVITGA4

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.