SCHEMBL3742874

SCHEMBL3742874

CC(C)(C)OC(=O)N[C@H](C(=O)N1CSC[C@@H]1C#N)C1CC2CCC(C1)N2C(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.40
ELOVL6 Q9H5J4 1/20 0.39
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
MMP13 P45452 1/20 0.33

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
SCHEMBL3749600 0.87 ELOVL6 (0.39) DPP4ELOVL6KDM4EALDH1A1POLB
SCHEMBL3749602 0.87 DPP4 (0.53) DPP4ELOVL6
SCHEMBL3744760 0.86 DPP4 (0.47) DPP4ELOVL6
SCHEMBL3802747 0.85 DPP4 (0.52) DPP4ELOVL6
SCHEMBL13078897 0.84 ELOVL6 (0.42) DPP4ELOVL6KDM4EALDH1A1POLB
SCHEMBL3744361 0.84 ELOVL6 (0.42) DPP4ELOVL6KDM4EALDH1A1POLB
SCHEMBL8090561 0.82 DPP4 (0.54) DPP4ELOVL6
SCHEMBL3752924 0.82 ELOVL6 (0.41) DPP4ELOVL6KDM4EALDH1A1POLB
SCHEMBL3738589 0.82 ELOVL6 (0.50) ELOVL6KDM4EALDH1A1POLBGAA
SCHEMBL3966181 0.80 ELOVL6 (0.40) DPP4ELOVL6KDM4EALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338450-B2 Compounds as dipeptidyl peptidase IV (DPP IV) inhibitors LUPIN LIMITED (IN) 2012-12-25 US disclosed
US-8338450-B2 Compounds as dipeptidyl peptidase IV (DPP IV) inhibitors LUPIN LIMITED (IN) 2012-12-25 US disclosed
US-8338450-B2 Compounds as dipeptidyl peptidase IV (DPP IV) inhibitors LUPIN LIMITED (IN) 2012-12-25 US disclosed
US-20100291020-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2010-11-18 US disclosed
US-20100291020-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2010-11-18 US disclosed
US-20100291020-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2010-11-18 US disclosed
WO-2009037719-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2009-03-26 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-20100291020-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS DPP4, DPP7, DPP3 DPP4 1/4885ELOVL6 1589/4885KDM4E 1818/4885

“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.