SCHEMBL4067149

SCHEMBL4067149

CNc1cccc(CCCc2ccc(C[C@H](N)C(=O)OC)s2)n1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 14/20 0.58
ITGA5 P08648 14/20 0.58
ITGB3 P05106 12/20 0.58
ITGAV P06756 12/20 0.58
ITGB5 P18084 4/20 0.40
ITGA2B P08514 1/20 0.40
NR3C2 P08235 1/20 0.38
APP P05067 1/20 0.38
ITGB6 P18564 1/20 0.36

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
SCHEMBL4070580 0.84 ITGB1 (0.57) ITGB1ITGA5ITGB3ITGAV
Hydrochloric Acid SCHEMBL4072434 0.84 ITGB1 (0.56) ITGB1ITGA5ITGB3ITGAV
SCHEMBL8234115 0.82 ITGB1 (0.54) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4068080 0.82 ITGB1 (0.54) ITGB1ITGA5ITGB3ITGAV
SCHEMBL8228568 0.81 ITGB1 (0.68) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4072581 0.80 ITGB1 (0.83) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4067714 0.79 ITGB1 (0.59) ITGB1ITGA5ITGB3ITGAVAPP
SCHEMBL4069226 0.77 ITGB1 (0.57) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4245661 0.75 ITGAV (0.49) ITGB3ITGAVITGB5ITGA2BITGB6
SCHEMBL14104055 0.75 ITGB3 (0.66) ITGB1ITGA5ITGB3ITGAVITGB5

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 11 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
WO-2008125811-A1 N-[HETEROARYLCARBONYL]-S-THIENYL-L-ALANINE DERIVATIVES AS α5β1 ANTAGONISTS ASTRAZENECA AB (SE) 2008-10-23 WO disclosed
WO-2008125811-A1 N-[HETEROARYLCARBONYL]-S-THIENYL-L-ALANINE DERIVATIVES AS α5β1 ANTAGONISTS ASTRAZENECA AB (SE) 2008-10-23 WO disclosed
US-20080255183-A1 N-[HETEROARYLCARBONYL]-3-THIENYL-L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ASTRAZENECA AB (SE) 2008-10-16 US disclosed
US-20080255183-A1 N-[HETEROARYLCARBONYL]-3-THIENYL-L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ASTRAZENECA AB (SE) 2008-10-16 US disclosed
US-20080255183-A1 N-[HETEROARYLCARBONYL]-3-THIENYL-L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ASTRAZENECA AB (SE) 2008-10-16 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
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 (2 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-20080255183-A1 N-[HETEROARYLCARBONYL]-3-THIENYL-L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ITGA2B, ITGB1, ITGB5 ITGB1 2/4885ITGA5 10/4885ITGB3 5/4885
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.