SCHEMBL6677335

SCHEMBL6677335

CN1Cc2cc(C(=O)O)ccc2NC(CC(=O)O)C1=O

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.68
ITGAV P06756 17/20 0.68
ITGA2B P08514 14/20 0.68

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
SCHEMBL6677340 1.00 ITGB3 (0.68) ITGB3ITGAVITGA2B
SCHEMBL5972553 1.00 ITGB3 (0.68) ITGB3ITGAVITGA2B
Trifluoroacetic Acid SCHEMBL8466321 0.93 ITGB3 (0.63) ITGB3ITGAVITGA2B
SCHEMBL6652716 0.91 ITGB3 (0.58) ITGB3ITGAVITGA2B
SCHEMBL6652714 0.91 ITGB3 (0.58) ITGB3ITGAVITGA2B
SCHEMBL7796007 0.91 ITGB3 (0.66) ITGB3ITGAVITGA2B
Hydrochloric Acid SCHEMBL6676418 0.90 ITGB3 (0.57) ITGB3ITGAVITGA2B
Hydrochloric Acid SCHEMBL7788880 0.90 ITGB3 (0.64) ITGB3ITGAVITGA2B
SCHEMBL4024554 0.89 ITGB3 (0.58) ITGB3ITGAVITGA2B
SCHEMBL5155928 0.89 ITGB3 (0.57) ITGB3ITGAVITGA2B

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995018619-A9 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-10-21 WO disclosed
EP-0946180-A4 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORP (US) 2003-07-23 EP disclosed
EP-0738150-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-05-02 EP disclosed
EP-0767792-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed
US-6458784-B1 PHARMACEUTICALLY ACTIVE BENZODIAZAPINE COMPOUNDS OF FORMULA (I) ARE DISCLOSED. THESE COMPOUNDS INHIBIT THE VITRONECTIN RECEPTOR AND ARE USEFUL FOR TREATMENT OF OSTEOPOROSIS. SMITHKLINE BEECHAM CORPORATION 2002-10-01 US disclosed
EP-0762882-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-09-11 EP disclosed
US-20020055499-A1 Integrin receptor antagonists HEERDING DIRK (US) 2002-05-09 US disclosed
US-20020032187-A1 Method for stimulating bone formation SMITHKLINE BEECHAM CORPORATION 2002-03-14 US disclosed
US-20010034445-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2001-10-25 US disclosed
EP-1007051-A4 INTEGRIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2001-08-29 EP disclosed
EP-0777657-A1 BICYCLIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-06-11 EP disclosed
EP-0767792-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-04-16 EP disclosed
EP-0762882-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-03-19 EP disclosed
EP-0738150-A4 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1997-03-19 EP disclosed
EP-0738150-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-10-23 EP disclosed
WO-1996026190-A1 INTEGRIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-08-29 WO disclosed
WO-1996006087-A1 BICYCLIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-02-29 WO disclosed
WO-1996000574-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-01-11 WO disclosed
WO-1996000730-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-01-11 WO disclosed
WO-1995018619-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-07-13 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 (3 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-20020055499-A1 Integrin receptor antagonists ITGB1, ITGB2, ITGA1 ITGB3 8/4885ITGAV 14/4885ITGA2B 7/4885
US-20010034445-A1 Vitronectin receptor antagonists ADGRF1, GPR174, CALCRL ITGB3 132/4885ITGAV 184/4885ITGA2B 106/4885
US-20020032187-A1 Method for stimulating bone formation BMP2, BMP4, SOST ITGB3 11/4885ITGAV 18/4885ITGA2B 13/4885

“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.