SCHEMBL1730102

SCHEMBL1730102

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.40
PPIA P62937 1/20 0.39
AGTR2 P50052 2/20 0.36
GRIN2B Q13224 1/20 0.36
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
F2 P00734 2/20 0.34
PLG P00747 1/20 0.34
F11 P03951 1/20 0.34
F7 P08709 1/20 0.34
ATM Q13315 1/20 0.34
AKT1 P31749 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
SCHEMBL1728442 0.93 PPIA (0.39) DPP4PPIAAGTR2GRIN2BCA12
SCHEMBL6479943 0.92 PPIA (0.40) DPP4PPIAAGTR2GRIN2BCA12
SCHEMBL1728443 0.86 PPIA (0.40) DPP4PPIAGRIN2BCA12CA1
SCHEMBL6063147 0.85 DRD2 (0.32) DPP4PPIAKMT2AF2
SCHEMBL1730373 0.84 PPIA (0.41) DPP4PPIAAGTR2GRIN2BCA12
SCHEMBL6062214 0.82 DPP4 (0.38) DPP4AGTR2
SCHEMBL2983373 0.82 DPP4 (0.39) DPP4CA12CA1CA7CA14
SCHEMBL13205162 0.82 DPP4 (0.39) DPP4CA12CA1CA7CA14
SCHEMBL6479950 0.79 PPIA (0.39) PPIAGRIN2BCA12CA1CA7
SCHEMBL6062512 0.79 DPP8 (0.32) PPIAKMT2A

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 3 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
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

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 DPP4 374/4885PPIA 934/4885AGTR2 29/4885

“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.