SCHEMBL1728442

SCHEMBL1728442

CC(C)(C)OC(=O)N[C@]1(Cc2ccccc2)C[C@@H]2SC[C@@H](C(=O)O)N2C1=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPIA P62937 1/20 0.39
DPP4 P27487 2/20 0.39
ACE P12821 5/20 0.37
AGTR2 P50052 2/20 0.37
GRIN2B Q13224 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL1730102 0.93 DPP4 (0.40) PPIADPP4AGTR2GRIN2BCA12
SCHEMBL6479943 0.93 PPIA (0.40) PPIADPP4AGTR2GRIN2BCA12
SCHEMBL1728443 0.87 PPIA (0.40) PPIADPP4GRIN2BCA12CA1
SCHEMBL6062512 0.86 DPP8 (0.32) PPIAKMT2A
SCHEMBL1730373 0.85 PPIA (0.41) PPIADPP4AGTR2GRIN2BCA12
SCHEMBL6062357 0.83 DPP4 (0.36) DPP4AGTR2
SCHEMBL6063522 0.83 DPP4 (0.36) DPP4AGTR2
SCHEMBL6479950 0.82 PPIA (0.39) PPIAACEGRIN2BCA12CA1
SCHEMBL6063221 0.81 L3MBTL1 (0.31) PPIAL3MBTL1
SCHEMBL6063359 0.81 TOP2A (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651653-B1 NOVEL CYANO THIAZOLIDES, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SANOFI AVENTIS DEUTSCHLAND (DE) 2011-11-23 EP disclosed
EP-1651653-A1 NOVEL CYANO THIAZOLIDES, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT Sanofi-Aventis Deutschland GmbH (DE) 2006-05-03 EP disclosed
US-7008957-B2 Bicyclic cyanoheterocycles, process for their preparation and their use as medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-03-07 US disclosed
US-20050059716-A1 Novel bicyclic cyanoheterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-03-17 US disclosed
WO-2005012312-A1 NOVEL CYANO THIAZOLIDES, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-02-10 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 (1 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-20050059716-A1 Novel bicyclic cyanoheterocycles, process for their preparation and their use as medicaments CYP11B2, GOT2, CYP11B1 PPIA 934/4885DPP4 374/4885ACE 371/4885

“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.