SCHEMBL4070580

SCHEMBL4070580

CNc1cccc(CCCc2ccc(C[C@H](N)C(=O)OC)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 18/20 0.57
ITGA5 P08648 18/20 0.57
ITGB3 P05106 14/20 0.48
ITGAV P06756 14/20 0.48

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
Hydrochloric Acid SCHEMBL4072434 0.99 ITGB1 (0.56) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4068080 0.98 ITGB1 (0.54) ITGB1ITGA5ITGB3ITGAV
SCHEMBL8234115 0.98 ITGB1 (0.54) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4067714 0.89 ITGB1 (0.59) ITGB1ITGA5ITGB3ITGAV
SCHEMBL14104055 0.85 ITGB3 (0.66) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4067570 0.85 ITGB3 (0.66) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4069226 0.85 ITGB1 (0.57) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4067149 0.84 ITGB1 (0.58) ITGB1ITGA5ITGB3ITGAV
Hydrochloric Acid SCHEMBL4193237 0.84 ITGB3 (0.64) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4928350 0.80 ITGB1 (0.82) 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 6 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
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 (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.