SCHEMBL6422971

SCHEMBL6422971

COc1ccc2c(c1)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H](CC(=O)O)C2

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.49
ITGAV P06756 5/20 0.49
ITGA2B P08514 5/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
AR P10275 1/20 0.41
ACHE P22303 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
OPRK1 P41145 1/20 0.40
CTSD P07339 1/20 0.39
CYP26A1 O43174 1/20 0.39

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
SCHEMBL6422977 1.00 ITGB3 (0.49) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL6420205 0.90 ITGB3 (0.50) ITGB3ITGAVITGA2BPPARDPPARA
SCHEMBL6420201 0.90 ITGB3 (0.50) ITGB3ITGAVITGA2BPPARDPPARA
SCHEMBL6418698 0.87 ITGB3 (0.53) ITGB3ITGAVITGA2BPPARDPPARA
SCHEMBL6418693 0.87 ITGB3 (0.53) ITGB3ITGAVITGA2BPPARDPPARA
SCHEMBL6420654 0.86 ITGB3 (0.44) ITGB3ITGAVITGA2B
SCHEMBL6420649 0.86 ITGB3 (0.44) ITGB3ITGAVITGA2B
SCHEMBL6422342 0.84 ITGB3 (0.64) ITGB3ITGAVITGA2BPPARDOPRK1
SCHEMBL6418720 0.84 ITGB3 (0.64) ITGB3ITGAVITGA2BPPARDOPRK1
SCHEMBL6418726 0.84 ITGB3 (0.64) ITGB3ITGAVITGA2BPPARDOPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0957917-B1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-12-07 EP disclosed
US-6825188-B2 MORE POTENT INHIBITORS OF THE VITRONECTIN RECEPTOR THAN THE FIBRINOGEN SMITHKLINE BEECHAM CORPORATION 2004-11-30 US disclosed
EP-1017387-A4 VITRONECTIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM CORP (US) 2004-08-18 EP disclosed
US-20040082559-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2004-04-29 US disclosed
US-20030216377-A1 Vitronectin receptor antagonist SMITHKLINE BEECHAM CORPORATION 2003-11-20 US disclosed
US-20030125317-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2003-07-03 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
EP-0957917-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-05-15 EP 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
EP-0957917-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-24 EP disclosed
WO-1999015170-A1 VITRONECTIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM CORPORATION (US) 1999-04-01 WO disclosed
WO-1998014192-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-04-09 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 (7 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-20040082559-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 ITGB3 131/4885ITGAV 302/4885ITGA2B 191/4885
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
US-20030125317-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 ITGB3 131/4885ITGAV 302/4885ITGA2B 191/4885

“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.