SCHEMBL7058675

SCHEMBL7058675

Cc1cc[n+]([O-])c(NCCCOc2ccc3c(c2)CN(Cc2ccc(C(F)(F)F)cc2)C(=O)C(CC(=O)O)C3)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.52
ITGAV P06756 8/20 0.52
ITGA2B P08514 6/20 0.52
PPARA Q07869 7/20 0.40
PPARD Q03181 6/20 0.40
ITGB1 P05556 1/20 0.39
ITGB5 P18084 1/20 0.39
PPARG P37231 3/20 0.34
FFAR1 O14842 1/20 0.33

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
SCHEMBL7058672 1.00 ITGB3 (0.52) ITGB3ITGAVITGA2BPPARAPPARD
SCHEMBL6419571 0.90 ITGB3 (0.57) ITGB3ITGAVITGA2BPPARAPPARD
SCHEMBL6418541 0.89 ITGB3 (0.66) ITGB3ITGAVITGA2BPPARAPPARD
SCHEMBL6418536 0.89 ITGB3 (0.66) ITGB3ITGAVITGA2BPPARAPPARD
SCHEMBL7049383 0.85 ITGB3 (0.63) ITGB3ITGAVITGA2BPPARAPPARD
SCHEMBL7049386 0.85 ITGB3 (0.63) ITGB3ITGAVITGA2BPPARAPPARD
SCHEMBL6419108 0.83 ITGB3 (0.65) ITGB3ITGAVITGA2BPPARAPPARD
SCHEMBL6419095 0.83 ITGB3 (0.65) ITGB3ITGAVITGA2BPPARAPPARD
SCHEMBL6419562 0.83 ITGB3 (0.57) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6419470 0.81 ITGB3 (0.78) ITGB3ITGAVITGA2BPPARAPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1017387-A4 VITRONECTIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM CORP (US) 2004-08-18 EP disclosed
US-20030216377-A1 Vitronectin receptor antagonist SMITHKLINE BEECHAM CORPORATION 2003-11-20 US disclosed
US-20030087894-A1 Vitronectin receptor antagonist SMITHKLINE BEECHAM CORPORATION 2003-05-08 US disclosed
US-20020128257-A1 Vitronectin receptor antagonist SMITHKLINE BEECHAM CORPORATION 2002-09-12 US disclosed
US-20020040136-A1 Vitronectin receptor antagonist SMITHKLINE BEECHAM CORPORATION 2002-04-04 US disclosed
US-20010014737-A1 Vitronectin receptor antagonist HEERDING DIRK (US) 2001-08-16 US disclosed
EP-1017387-A1 VITRONECTIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM CORPORATION (US) 2000-07-12 EP disclosed
WO-1999015170-A1 VITRONECTIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM CORPORATION (US) 1999-04-01 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 (5 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-20020040136-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL ITGB3 248/4885ITGAV 240/4885ITGA2B 158/4885
US-20030087894-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL ITGB3 248/4885ITGAV 240/4885ITGA2B 158/4885
US-20020128257-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL ITGB3 248/4885ITGAV 240/4885ITGA2B 158/4885
US-20030216377-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL ITGB3 248/4885ITGAV 240/4885ITGA2B 158/4885
US-20010014737-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL ITGB3 248/4885ITGAV 240/4885ITGA2B 158/4885

“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.