SCHEMBL5083288

SCHEMBL5083288

COc1ccc2c(c1)CN(C)C(=O)C(CC(=O)O)C2

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.62
ITGA2B P08514 5/20 0.62
ITGAV P06756 5/20 0.62
OPRK1 P41145 4/20 0.47
PPARD Q03181 2/20 0.44
OPRM1 P35372 3/20 0.41
METAP1 P53582 3/20 0.41
KYAT1 Q16773 1/20 0.41
KYAT3 Q6YP21 1/20 0.41
AADAT Q8N5Z0 1/20 0.41
OPRD1 P41143 2/20 0.40

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
SCHEMBL6418681 0.84 ITGB3 (0.67) ITGB3ITGA2BITGAVPPARD
SCHEMBL2783737 0.84 ITGB3 (0.46) ITGB3ITGA2BITGAVMETAP1KYAT1
SCHEMBL2786598 0.84 ITGB3 (0.52) ITGB3ITGA2BITGAVOPRK1OPRM1
SCHEMBL2786534 0.84 ITGB3 (0.52) ITGB3ITGA2BITGAVOPRK1OPRM1
SCHEMBL6419432 0.82 ITGB3 (0.55) ITGB3ITGA2BITGAVOPRK1
SCHEMBL6419435 0.82 ITGB3 (0.55) ITGB3ITGA2BITGAVOPRK1
SCHEMBL6676168 0.82 ITGB3 (0.56) ITGB3ITGA2BITGAV
SCHEMBL6676170 0.82 ITGB3 (0.56) ITGB3ITGA2BITGAV
SCHEMBL7333252 0.82 ITGB3 (0.52) ITGB3ITGA2BITGAV
SCHEMBL6418720 0.82 ITGB3 (0.64) ITGB3ITGA2BITGAVOPRK1PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293691-A1 Treatment Method SMITHKLINE BEECHAM CORPORATION 2008-11-27 US disclosed
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
US-20040082559-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2004-04-29 US disclosed
EP-0946180-A4 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORP (US) 2003-07-23 EP disclosed
US-20030125317-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2003-07-03 US disclosed
EP-0957917-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-05-15 EP disclosed
US-20020032187-A1 Method for stimulating bone formation SMITHKLINE BEECHAM CORPORATION 2002-03-14 US disclosed
EP-0957917-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-24 EP disclosed
EP-0946180-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1999-10-06 EP disclosed
WO-1998015278-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1998-04-16 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 (4 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-20040082559-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 ITGB3 131/4885ITGA2B 191/4885ITGAV 302/4885
US-20020032187-A1 Method for stimulating bone formation BMP2, BMP4, SOST ITGB3 11/4885ITGA2B 13/4885ITGAV 18/4885
US-20080293691-A1 Treatment Method ALDH1A2, KDR, VEGFA ITGB3 243/4885ITGA2B 571/4885ITGAV 281/4885
US-20030125317-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 ITGB3 131/4885ITGA2B 191/4885ITGAV 302/4885

“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.