SCHEMBL4923916

SCHEMBL4923916

COC(=O)[C@H](Cc1ccc(OCCc2cccc(N(C)C(=O)OC(C)(C)C)n2)c(I)c1)NC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.54
ITGA5 P08648 19/20 0.54
ITGB3 P05106 12/20 0.51
ITGAV P06756 12/20 0.51
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37

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
SCHEMBL4392932 0.92 ITGB1 (0.61) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4065627 0.91 ITGB1 (0.62) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4928702 0.91 ITGB1 (0.53) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4919707 0.88 ITGB1 (0.69) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4928256 0.86 ITGB1 (0.60) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4067949 0.85 ITGB1 (0.60) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4063291 0.84 ITGB1 (0.64) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4070036 0.83 ITGB1 (0.51) ITGB1ITGA5ITGB3ITGAVITGA4
SCHEMBL4562756 0.82 ITGB1 (0.57) ITGB1ITGA5ITGB3ITGAVITGA4
SCHEMBL4066143 0.81 ITGB1 (0.62) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.