SCHEMBL4906556

SCHEMBL4906556

CC(C)(C)OC(=O)N[C@@H](CCCCN)C(=O)N1CCSC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.56
ITGA2B P08514 10/20 0.56
DPP7 Q9UHL4 5/20 0.55
DPP4 P27487 3/20 0.55
DPP8 Q6V1X1 2/20 0.55
DPP9 Q86TI2 2/20 0.55
PREP P48147 1/20 0.51
TGM2 P21980 1/20 0.40
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
SCHEMBL10074274 1.00 ITGB3 (0.56) ITGB3ITGA2BDPP7DPP4DPP8
SCHEMBL4913602 0.97 DPP7 (0.54) ITGB3ITGA2BDPP7DPP4DPP8
SCHEMBL4913612 0.88 PREP (0.50) ITGB3ITGA2BDPP7DPP4DPP8
SCHEMBL6890952 0.86 PREP (0.48) ITGB3ITGA2BDPP7DPP4DPP8
SCHEMBL6100308 0.85 PREP (0.52) ITGB3ITGA2BDPP7DPP4DPP8
SCHEMBL7964692 0.84 ITGB3 (0.66) ITGB3ITGA2BTGM2TSHR
SCHEMBL6768135 0.84 ITGB3 (0.66) ITGB3ITGA2BTGM2TSHR
SCHEMBL6100302 0.84 PREP (0.53) ITGB3ITGA2BDPP7DPP4DPP8
SCHEMBL5351068 0.83 PREP (0.57) ITGB3ITGA2BDPP7DPP4DPP8
SCHEMBL27586353 0.83 PREP (0.57) ITGB3ITGA2BDPP7DPP4DPP8

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
EP-2418196-A1 Dual alanyl-aminopeptidase and dipeptidyl-peptidase IV inhibitors IMTM GmbH (DE) 2012-02-15 EP disclosed
US-20120028995-A1 NOVEL COMPOUNDS FOR MEDICAL USE AS PEPTIDASE EFFECTORS IMTM GMBH (DE) 2012-02-02 US disclosed
US-20120028995-A1 NOVEL COMPOUNDS FOR MEDICAL USE AS PEPTIDASE EFFECTORS IMTM GMBH (DE) 2012-02-02 US disclosed
US-20080255126-A1 Inhibitors of post-proline cleaving proteases FERRING B.V. 2008-10-16 US disclosed
US-7335677-B2 Inhibitors of dipeptidyl peptidase IV FERRING B.V. (NL) 2008-02-26 US disclosed
US-7189728-B2 Inhibitors of dipeptidyl peptidase IV FERRING, BV (NL) 2007-03-13 US disclosed
US-7125863-B2 Inhibitors of dipeptidyl peptidase IV FERRING BV (NL) 2006-10-24 US disclosed
EP-1693365-A1 Inhibitors of dipeptidyl peptidase IV FERRING B.V. (NL) 2006-08-23 EP disclosed
US-20050043299-A1 Inhibitors of dipeptidyl peptidase iv FERRING B. V. 2005-02-24 US disclosed
EP-1280797-B1 INHIBITORS OF DIPEPTIDYL PEPTIDASE IV FERRING BV (NL) 2004-10-13 EP disclosed
US-20040082497-A1 Inhibitors of dipeptidyl peptidase IV FERRING BV (NL) 2004-04-29 US disclosed
US-20030216450-A1 Inhibitors of dipeptidyl peptidase IV FERRING BV (NL) 2003-11-20 US 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 (5 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-20030216450-A1 Inhibitors of dipeptidyl peptidase IV DPP4, DPP7, DPP8 ITGB3 4315/4885ITGA2B 4758/4885DPP7 2/4885
US-20120028995-A1 NOVEL COMPOUNDS FOR MEDICAL USE AS PEPTIDASE EFFECTORS SERPINB1, CMA1, CPA3 ITGB3 4136/4885ITGA2B 3392/4885DPP7 86/4885
US-20040082497-A1 Inhibitors of dipeptidyl peptidase IV DPP4, DPP7, DPP3 ITGB3 4368/4885ITGA2B 4626/4885DPP7 2/4885
US-20050043299-A1 Inhibitors of dipeptidyl peptidase iv DPP4, DPP9, DPP3 ITGB3 4014/4885ITGA2B 3782/4885DPP7 4/4885
US-20080255126-A1 Inhibitors of post-proline cleaving proteases PREP, PEPD, DPP4 ITGB3 4250/4885ITGA2B 4214/4885DPP7 7/4885

“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.