SCHEMBL4064907

SCHEMBL4064907

Cc1cccc(C)c1C(=O)N[C@@H](Cc1ccc(OCCCNc2ccccn2)cc1)C(=O)O

nearest known ligand 0.86

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 16/20 0.86
ITGA5 P08648 13/20 0.86
ITGB3 P05106 10/20 0.86
ITGAV P06756 10/20 0.86
MDM4 O15151 1/20 0.67
MDM2 Q00987 1/20 0.67
ITGB5 P18084 4/20 0.62
ITGB6 P18564 2/20 0.62
ITGA2B P08514 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.59
ITGA4 P13612 1/20 0.57

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
SCHEMBL18067804 1.00 ITGB1 (0.86) ITGB1ITGA5ITGB3ITGAVMDM4
SCHEMBL4066147 0.93 ITGB1 (1.00) ITGB1ITGA5ITGB3ITGAVMDM4
SCHEMBL4071730 0.92 ITGB1 (0.80) ITGB1ITGA5ITGB3ITGAVMDM4
SCHEMBL4064994 0.92 ITGB1 (0.79) ITGB1ITGA5ITGB3ITGAVMDM4
SCHEMBL4072281 0.90 ITGB1 (1.00) ITGB1ITGA5ITGB3ITGAVMDM4
SCHEMBL18067801 0.90 ITGB1 (1.00) ITGB1ITGA5ITGB3ITGAVMDM4
SCHEMBL4068313 0.89 ITGB1 (0.84) ITGB1ITGA5ITGB3ITGAVMDM4
SCHEMBL4069977 0.89 ITGB1 (0.81) ITGB1ITGA5ITGB3ITGAVMDM4
SCHEMBL18067805 0.88 ITGB1 (0.85) ITGB1ITGA5ITGB3ITGAVMDM4
SCHEMBL14270723 0.88 ITGB1 (0.78) ITGB1ITGA5ITGB3ITGAVMDM4

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 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.