SCHEMBL13045313

SCHEMBL13045313

COC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C1CC2CCC(C1)N2C(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PEPD P12955 3/20 0.46
ELOVL6 Q9H5J4 2/20 0.44
PDK2 Q15119 2/20 0.44
DPP4 P27487 3/20 0.42
XPNPEP1 Q9NQW7 2/20 0.41
GAA P10253 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
FAP Q12884 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
SPHK2 Q9NRA0 1/20 0.37
SPHK1 Q9NYA1 1/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37

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
Trifluoroacetic Acid SCHEMBL3747830 0.96 ELOVL6 (0.43) PEPDELOVL6PDK2DPP4XPNPEP1
SCHEMBL13045309 0.90 PEPD (0.43) PEPDPDK2XPNPEP1GAAPOLB
SCHEMBL8099230 0.89 ELOVL6 (0.49) ELOVL6DPP4GAATDP1ALDH1A1
Trifluoroacetic Acid SCHEMBL3744742 0.86 ELOVL6 (0.47) ELOVL6DPP4GAATDP1ALDH1A1
SCHEMBL8088240 0.85 ELOVL6 (0.43) ELOVL6DPP4GAATDP1MAPK1
Trifluoroacetic Acid SCHEMBL3742689 0.85 DPP4 (0.46) ELOVL6PDK2DPP4GAATDP1
SCHEMBL3747942 0.84 KLK5 (0.44) PEPDELOVL6PDK2DPP4XPNPEP1
SCHEMBL8088377 0.82 DPP4 (0.58) ELOVL6DPP4FAPDPP8DPP9
SCHEMBL8088530 0.79 DPP4 (0.57) DPP4FAPDPP8DPP9DPP7
Trifluoroacetic Acid SCHEMBL3744761 0.79 DPP4 (0.57) DPP4FAPDPP8DPP9DPP7

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 2 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-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 PEPD 7/4885ELOVL6 1589/4885PDK2 476/4885

“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.