SCHEMBL3742829

SCHEMBL3742829

CC(C)(C)OC(=O)NC(C(=O)O)C1CC2CCCC(C1)N2C(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELOVL6 Q9H5J4 2/20 0.46
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
MMP13 P45452 1/20 0.41
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
EIF2AK4 Q9P2K8 1/20 0.38
AAK1 Q2M2I8 2/20 0.37
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
DPP4 P27487 1/20 0.36

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
SCHEMBL3738589 0.96 ELOVL6 (0.50) ELOVL6PPARGPPARAMMP13GAA
SCHEMBL3736645 0.91 ELOVL6 (0.43) ELOVL6PPARGPPARAMMP13KMT2A
SCHEMBL13078810 0.90 PPARG (0.42) ELOVL6PPARGPPARAMMP13KMT2A
SCHEMBL3802747 0.84 DPP4 (0.52) ELOVL6DPP4
SCHEMBL3800885 0.84 DPP4 (0.44) ELOVL6PPARGPPARAGAATDP1
SCHEMBL3741039 0.84 CMA1 (0.44) ELOVL6PPARGPPARAL3MBTL1ALDH1A1
SCHEMBL3751575 0.84 MMP13 (0.41) ELOVL6MMP13KMT2AL3MBTL1GAA
SCHEMBL3738764 0.83 ELOVL6 (0.51) ELOVL6PPARGPPARAMMP13AAK1
SCHEMBL3747942 0.81 KLK5 (0.44) ELOVL6GAATDP1KDM4EALDH1A1
SCHEMBL3749602 0.81 DPP4 (0.53) ELOVL6DPP4

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 claimed
US-20100291020-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2010-11-18 US claimed
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
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 ELOVL6 1589/4885PPARG 2034/4885PPARA 1841/4885

“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.