SCHEMBL3744756

SCHEMBL3744756

CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H](F)C[C@H]1C(N)=O)C1CC2CCC(C1)N2C(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELOVL6 Q9H5J4 2/20 0.40
GAA P10253 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
PIN1 Q13526 1/20 0.36
DPP4 P27487 5/20 0.34
DPP7 Q9UHL4 2/20 0.34
FAP Q12884 2/20 0.34
DPP8 Q6V1X1 2/20 0.34
DPP9 Q86TI2 2/20 0.34
AAK1 Q2M2I8 3/20 0.34
CFD P00746 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
MMP13 P45452 1/20 0.32

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
SCHEMBL8101422 0.88 DPP4 (0.45) ELOVL6GAATDP1KDM4EALDH1A1
SCHEMBL3744760 0.87 DPP4 (0.47) ELOVL6DPP4DPP7FAPDPP8
SCHEMBL3749600 0.86 ELOVL6 (0.39) ELOVL6GAATDP1KDM4EALDH1A1
SCHEMBL3800885 0.85 DPP4 (0.44) ELOVL6GAATDP1PPARGPPARA
SCHEMBL3742876 0.83 ELOVL6 (0.39) ELOVL6GAATDP1KDM4EALDH1A1
SCHEMBL3738589 0.82 ELOVL6 (0.50) ELOVL6GAATDP1KDM4EALDH1A1
SCHEMBL3741039 0.82 CMA1 (0.44) ELOVL6ALDH1A1PPARGPPARADPP4
SCHEMBL3747942 0.81 KLK5 (0.44) ELOVL6GAATDP1KDM4EALDH1A1
SCHEMBL3749602 0.79 DPP4 (0.53) ELOVL6DPP4DPP7FAPDPP8
SCHEMBL3742829 0.79 ELOVL6 (0.46) ELOVL6GAATDP1KDM4EALDH1A1

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 4 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-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

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 1589/4885GAA 147/4885TDP1 1016/4885

“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.