SCHEMBL6423850

SCHEMBL6423850

COc1ccc2c(c1)CNC(=O)[C@H](CC(=O)O)C2

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.47
ITGB3 P05106 5/20 0.47
ITGA2B P08514 3/20 0.47
ITGAV P06756 4/20 0.44
OPRK1 P41145 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
ITGB1 P05556 1/20 0.42
ITGB5 P18084 1/20 0.42
METAP1 P53582 3/20 0.41
CYP19A1 P11511 1/20 0.41
ATM Q13315 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41

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
SCHEMBL6419319 1.00 PPARD (0.47) PPARDITGB3ITGA2BITGAVOPRK1
SCHEMBL6419323 1.00 PPARD (0.47) PPARDITGB3ITGA2BITGAVOPRK1
SCHEMBL23083048 0.84 ITGB3 (0.58) PPARDITGB3ITGA2BITGAVITGB1
SCHEMBL6418152 0.84 ITGB3 (0.58) PPARDITGB3ITGA2BITGAVITGB1
SCHEMBL6419594 0.83 ITGB3 (0.46) PPARDITGB3ITGA2BITGAVITGB1
SCHEMBL2784278 0.82 ITGB3 (0.47) ITGB3ITGA2BITGAVOPRK1ALDH1A1
SCHEMBL2786680 0.82 ITGB3 (0.47) ITGB3ITGA2BITGAVOPRK1ALDH1A1
SCHEMBL2784223 0.82 ITGB3 (0.47) ITGB3ITGA2BITGAVOPRK1ALDH1A1
SCHEMBL6417972 0.82 ITGB3 (0.49) PPARDITGB3ITGA2BITGAVITGB1
SCHEMBL4623068 0.81 OPRK1 (0.46) PPARDOPRK1ALDH1A1TSHRMETAP1

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 19 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
US-20020123487-A1 Vitronectin receptor antagonist SMITHKLINE BEECHAM CORPORATION 2002-09-05 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-20020019387-A1 Vitronectin receptor antagonist SMITHKLINE BEECHAM CORPORATION 2002-02-14 US disclosed
US-20010014737-A1 Vitronectin receptor antagonist HEERDING DIRK (US) 2001-08-16 US disclosed
EP-1023073-A1 VITRONECTIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM CORPORATION (US) 2000-08-02 EP 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-1999015178-A1 VITRONECTIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM CORPORATION (US) 1999-04-01 WO 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 (9 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 PPARD 2126/4885ITGB3 248/4885ITGA2B 158/4885
US-20030087894-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL PPARD 2126/4885ITGB3 248/4885ITGA2B 158/4885
US-20020128257-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL PPARD 2126/4885ITGB3 248/4885ITGA2B 158/4885
US-20040082559-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 PPARD 1152/4885ITGB3 131/4885ITGA2B 191/4885
US-20030216377-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL PPARD 2126/4885ITGB3 248/4885ITGA2B 158/4885
US-20020123487-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL PPARD 2126/4885ITGB3 248/4885ITGA2B 158/4885
US-20010014737-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL PPARD 2126/4885ITGB3 248/4885ITGA2B 158/4885
US-20020019387-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL PPARD 2126/4885ITGB3 248/4885ITGA2B 158/4885
US-20030125317-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 PPARD 1152/4885ITGB3 131/4885ITGA2B 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.