SCHEMBL6739002

SCHEMBL6739002

CCOC(=O)CC(NC(=O)CN)c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.44
ITGA2B P08514 5/20 0.44
ROCK2 O75116 1/20 0.44
ITGAV P06756 4/20 0.43
GAA P10253 4/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.40
KCNA5 P22460 2/20 0.40
HTT P42858 1/20 0.39
TSHR P16473 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
SCHEMBL7373638 1.00 ITGB3 (0.44) ITGB3ITGA2BROCK2ITGAVGAA
Hydrochloric Acid SCHEMBL7138528 0.99 ITGB3 (0.44) ITGB3ITGA2BROCK2ITGAVGAA
Hydrochloric Acid SCHEMBL7991649 0.99 ITGB3 (0.44) ITGB3ITGA2BROCK2ITGAVGAA
Hydrochloric Acid SCHEMBL7991653 0.99 ITGB3 (0.44) ITGB3ITGA2BROCK2ITGAVGAA
SCHEMBL13417582 0.89 KCNA5 (0.50) ITGB3ITGA2BITGAVKCNA5
SCHEMBL3835077 0.85 LMNA (0.49) GAAALDH1A1LMNAHTTTSHR
Hydrochloric Acid SCHEMBL7137163 0.84 LMNA (0.48) GAAALDH1A1LMNAHTTTSHR
SCHEMBL16439852 0.84 KCNA5 (0.44) ITGB3ROCK2ITGAVGAAMAPK1
SCHEMBL7414742 0.83 CYP3A4 (0.47) ITGB3ITGA2BROCK2ITGAVGAA
Hydrochloric Acid SCHEMBL7414735 0.83 CYP3A4 (0.46) ITGB3ITGA2BROCK2ITGAVGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6831199-B1 In order to avoid bleeding side-effects when treating the conditions associated with integrin alpha v beta 3, it is beneficial to have compounds which are selective antagonists for alpha v beta 3 versus alpha IIb beta 3 G. D. SEARLE & CO. 2004-12-14 US disclosed
US-20040127477-A1 Heterocyclic glycyl beta-alanine derivatives G. D. SEARLE & CO. (US) 2004-07-01 US disclosed
US-6689754-B1 PIPERIDINE OR PYRIDINE DERIVATIVES; ALPHA V BETA 3 INTEGRIN ANTAGONISTS G. D. SEARLE & CO. 2004-02-10 US disclosed
EP-0804418-B1 PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2003-03-26 EP disclosed
EP-0928790-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2003-03-05 EP disclosed
US-6344562-B1 ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2002-02-05 US disclosed
US-20020010316-A1 Thiazole derivatives ALIG LEO (CH) 2002-01-24 US disclosed
US-6320054-B1 INHIBIT BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES F CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS. HOFFMAN-LA ROCHE INC. 2001-11-20 US disclosed
EP-0850221-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP disclosed
EP-1070060-A1 HETEROCYCLIC GLYCYL BETA-ALANINE DERIVATIVES AS VITRONECTIN ANTAGONISTS G.D. Searle & Co. (US) 2001-01-24 EP disclosed
US-6028223-A AN INTEGRIN ANTAGONISTS TREATING BONE DISORDER, PERIODONTAL DISEASE, OSTEOPOROSIS, HUMORAL HYPERCALCEMIA OF MALIGNANCY, PAGET'S DISEASE, TUMOR ANGIOGENESIS, DIABETIC RETINOPATHY, ARTHRITIS, SMOOTH MUSCLE CELL MIGRATION AND RESTENOSIS G. D. SEARLE & CO. (US) 2000-02-22 US disclosed
WO-1999052896-A1 HETEROCYCLIC GLYCYL BETA-ALANINE DERIVATIVES AS VITRONECTIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-10-21 WO disclosed
EP-0928790-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 EP disclosed
EP-0880511-A4 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-06-16 EP disclosed
EP-0880511-A1 INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-12-02 EP disclosed
EP-0804418-A2 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1997-11-05 EP disclosed
WO-1997026250-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-07-24 WO disclosed
US-5639765-A OSTEOPOROSIS, PAGET*S DISEASE G. D. SEARLE & CO. (US) 1997-06-17 US disclosed
US-5602155-A GUANIDINO ALKYL AND PYRIDINE CARBOXYLATE SUBSTITUTED AMIDES G. D. SEARLE & CO. (US) 1997-02-11 US disclosed
WO-1996023771-A2 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-08-08 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 (2 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-20020010316-A1 Thiazole derivatives VCAM1, SOST, TGFB1 ITGB3 7/4885ITGA2B 106/4885ROCK2 180/4885
US-20040127477-A1 Heterocyclic glycyl beta-alanine derivatives ITGB3, ITGAL, ITGB1 ITGB3 1/4885ITGA2B 7/4885ROCK2 2128/4885

“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.