SCHEMBL6744706

SCHEMBL6744706

O=C(CNC(=O)c1cc(NC2=NCC(O)CN2)cs1)NC[C@@H](C(=O)O)c1cc(Cl)cc(Cl)c1O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.56
ITGAV P06756 20/20 0.56
ITGB6 P18564 13/20 0.56
ITGB1 P05556 3/20 0.56
ITGA5 P08648 3/20 0.56
ITGB5 P18084 3/20 0.56
ITGB8 P26012 3/20 0.56
ITGA8 P53708 3/20 0.56
ITGA2B P08514 1/20 0.48

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
SCHEMBL6840650 0.88 ITGB3 (0.49) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6744701 0.86 ITGB3 (0.75) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6886353 0.85 ITGB3 (0.51) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6886804 0.81 ITGB3 (0.55) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6840645 0.73 ITGB3 (0.68) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6682740 0.72 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6266940 0.72 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL22139457 0.72 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6224871 0.72 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL8336493 0.72 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA5

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-20040127477-A1 Heterocyclic glycyl beta-alanine derivatives G. D. SEARLE & CO. (US) 2004-07-01 US disclosed
US-6689754-B1 PIPERIDINE OR PYRIDINE DERIVATIVES; ALPHA V BETA 3 INTEGRIN ANTAGONISTS G. D. SEARLE & CO. 2004-02-10 US disclosed
EP-1070060-A1 HETEROCYCLIC GLYCYL BETA-ALANINE DERIVATIVES AS VITRONECTIN ANTAGONISTS G.D. Searle & Co. (US) 2001-01-24 EP disclosed
WO-1999052896-A1 HETEROCYCLIC GLYCYL BETA-ALANINE DERIVATIVES AS VITRONECTIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-10-21 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-20040127477-A1 Heterocyclic glycyl beta-alanine derivatives ITGB3, ITGAL, ITGB1 ITGB3 1/4885ITGAV 5/4885ITGB6 15/4885

“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.