SCHEMBL4247362

SCHEMBL4247362

O=C(N[C@@H](Cc1ccc(OCCc2ccc3c(n2)NCCC3)cc1)C(=O)O)c1ccc(F)cc1Cl

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 19/20 0.75
ITGB3 P05106 16/20 0.75
ITGA5 P08648 13/20 0.75
ITGB1 P05556 12/20 0.75
ITGB6 P18564 6/20 0.55
ITGA2B P08514 1/20 0.55
ITGB5 P18084 1/20 0.55

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
SCHEMBL26687069 1.00 ITGAV (0.75) ITGAVITGB3ITGA5ITGB1ITGB6
SCHEMBL4246863 0.93 ITGAV (0.77) ITGAVITGB3ITGA5ITGB1ITGB6
SCHEMBL4248636 0.92 ITGAV (0.63) ITGAVITGB3ITGA5ITGB1ITGB6
SCHEMBL4248480 0.91 ITGAV (0.61) ITGAVITGB3ITGA5ITGB1ITGB6
SCHEMBL30449965 0.91 ITGAV (0.69) ITGAVITGB3ITGA5ITGB1ITGB6
SCHEMBL20025142 0.91 ITGAV (0.69) ITGAVITGB3ITGA5ITGB1ITGB6
SCHEMBL20025004 0.91 ITGAV (0.69) ITGAVITGB3ITGA5ITGB1ITGB6
SCHEMBL4244147 0.89 ITGB1 (0.73) ITGAVITGB3ITGA5ITGB1ITGB6
SCHEMBL4248425 0.89 ITGAV (0.84) ITGAVITGB3ITGA5ITGB1ITGB6
SCHEMBL4930626 0.88 ITGB1 (0.75) ITGAVITGB3ITGA5ITGB1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. (US) 2023-11-16 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 claimed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US claimed
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 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 (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-20080045521-A1 PHENYLALANINE DERIVATIVES ITGB5, ITGB1, ITGA2B ITGAV 17/4885ITGB3 6/4885ITGA5 7/4885
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL ITGAV 4/4885ITGB3 9/4885ITGA5 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.