SCHEMBL3428546

SCHEMBL3428546

Cn1cnc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
ACE P12821 1/20 0.46
ITGA4 P13612 2/20 0.45
ITGB7 P26010 2/20 0.45
CPB2 Q96IY4 6/20 0.45
CPB1 P15086 1/20 0.45
PTPN1 P18031 2/20 0.42
PPARA Q07869 5/20 0.42
PPARG P37231 4/20 0.42
PPARD Q03181 2/20 0.41
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41
CTSS P25774 1/20 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
SCHEMBL3009900 1.00 ITGB3 (0.47) ITGB3ITGA2BACEITGA4ITGB7
SCHEMBL3009904 1.00 ITGB3 (0.47) ITGB3ITGA2BACEITGA4ITGB7
SCHEMBL24997209 0.88 ITGB3 (0.47) ITGB3ITGA2BACEITGA4ITGB7
SCHEMBL689786 0.87 CPB2 (0.45) ITGA4ITGB7CPB2CPB1ITGB2
SCHEMBL689785 0.87 CPB2 (0.45) ITGA4ITGB7CPB2CPB1ITGB2
SCHEMBL6329225 0.86 CPB2 (0.64) ITGB3ITGA2BACEITGA4ITGB7
SCHEMBL6321412 0.86 CPB2 (0.49) ITGB3ITGA2BCPB2CPB1ITGB2
SCHEMBL3008885 0.85 ITGB3 (0.45) ITGB3ITGA2BACEITGA4ITGB7
SCHEMBL13650201 0.85 ITGB3 (0.45) ITGB3ITGA2BACEITGA4ITGB7
SCHEMBL3008889 0.85 ITGB3 (0.45) ITGB3ITGA2BACEITGA4ITGB7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732466-B2 Substituted thiophene carboxamides, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-08 US disclosed
US-20060293300-A1 New substituted thiophene carboxamides, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-28 US disclosed
US-7115609-B2 Alanyl-piperidine heterocyclic derivatives useful against cardiovascular diseases ELI LILLY AND COMPANY (US) 2006-10-03 US disclosed
US-20040254374-A1 Alanyl-piperidine heterocyclic derivatives useful against cardiovascular diseases ELI LILLY AND COMPANY 2004-12-16 US disclosed
EP-1456198-A1 ALANYL-PIPERIDINE HETEROCYCLIC DERIVATIVES USEFUL AGAINST CARDIOVASCULAR DISEASES ELI LILLY AND COMPANY (US) 2004-09-15 EP disclosed
WO-2003050109-A1 ALANYL-PIPERIDINE HETEROCYCLIC DERIVATIVES USEFUL AGAINST CARDIOVASCULAR DISEASES ELI LILLY AND COMPANY (US) 2003-06-19 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-20040254374-A1 Alanyl-piperidine heterocyclic derivatives useful against cardiovascular diseases XPNPEP1, XDH, SERPINC1 ITGB3 1683/4885ITGA2B 983/4885ACE 798/4885
US-20060293300-A1 New substituted thiophene carboxamides, process for their preparation and their use as medicaments OTC, TPMT, ABCG2 ITGB3 3790/4885ITGA2B 3614/4885ACE 1072/4885

“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.