SCHEMBL4073533

SCHEMBL4073533

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

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 15/20 0.56
ITGA5 P08648 12/20 0.56
ITGB3 P05106 3/20 0.45
ITGAV P06756 3/20 0.45
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
ITGA4 P13612 3/20 0.44
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
PSMB5 P28074 1/20 0.42
POLB P06746 1/20 0.42
PYGL P06737 1/20 0.42

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
SCHEMBL14270710 0.91 ITGB1 (0.57) ITGB1ITGA5ITGB3ITGAVGAA
SCHEMBL4930915 0.89 ITGB1 (0.58) ITGB1ITGA5ITGB3ITGAVGAA
SCHEMBL4065400 0.84 ITGB1 (0.60) ITGB1ITGA5ITGB3ITGAVGAA
SCHEMBL8232717 0.84 ITGB1 (0.60) ITGB1ITGA5ITGB3ITGAVGAA
SCHEMBL4065364 0.81 NLRP3 (0.57) ITGB1ITGA5ITGAVITGA4NOS3
SCHEMBL297398 0.81 ATM (0.61) ITGB1GAARAB9AITGA4NOS3
SCHEMBL4067300 0.80 ITGB1 (0.53) ITGB1ITGA5ITGA4NOS3NOS1
SCHEMBL8228536 0.80 ITGB1 (0.62) ITGB1ITGA5ITGB3ITGAVGAA
SCHEMBL14270681 0.80 ITGB1 (0.59) ITGB1ITGA5ITGB3ITGAVGAA
SCHEMBL4106596 0.80 ITGB1 (0.62) ITGB1ITGA5ITGB3ITGAVGAA

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 3 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
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.