SCHEMBL3738764

SCHEMBL3738764

CC(C)(C)OC(=O)N[C@H](C(=O)O)C1CC2CCC(C1)N2C(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELOVL6 Q9H5J4 13/20 0.51
ELOVL3 Q9HB03 1/20 0.46
MAPT P10636 1/20 0.45
MMP13 P45452 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
NR3C1 P04150 1/20 0.39
AAK1 Q2M2I8 1/20 0.38

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 0.87 ELOVL6 (0.50) ELOVL6MMP13PPARGPPARAAAK1
SCHEMBL3742829 0.83 ELOVL6 (0.46) ELOVL6MAPTMMP13PPARGPPARA
SCHEMBL3747169 0.78 ELOVL6 (0.56) ELOVL6ELOVL3
SCHEMBL3751575 0.77 MMP13 (0.41) ELOVL6MMP13AAK1
SCHEMBL3744310 0.77 CHRM2 (0.55) MMP13AAK1
SCHEMBL3742008 0.75 CTSS (0.42) MAPTMMP13AAK1
SCHEMBL3736645 0.75 ELOVL6 (0.43) ELOVL6MAPTMMP13PPARGPPARA
SCHEMBL3741700 0.74 AAK1 (0.40) MMP13AAK1
SCHEMBL3741039 0.74 CMA1 (0.44) ELOVL6PPARGPPARA
SCHEMBL3747163 0.74 AAK1 (0.41) MMP13AAK1

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 5 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-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 1589/4885ELOVL3 1620/4885MAPT 484/4885

“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.