SCHEMBL3742876

SCHEMBL3742876

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELOVL6 Q9H5J4 2/20 0.39
GAA P10253 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
AAK1 Q2M2I8 2/20 0.33
DPP4 P27487 1/20 0.33
HSD11B1 P28845 1/20 0.32
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
MGLL Q99685 1/20 0.32
MMP13 P45452 1/20 0.32
PLAU P00749 1/20 0.31
HPN P05981 1/20 0.31

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
SCHEMBL3744361 0.89 ELOVL6 (0.42) ELOVL6GAATDP1MAPK1KDM4E
SCHEMBL13078897 0.89 ELOVL6 (0.42) ELOVL6GAATDP1MAPK1KDM4E
SCHEMBL3738692 0.85 MGLL (0.34) AAK1MGLL
SCHEMBL8083242 0.85 MGLL (0.34) AAK1MGLL
SCHEMBL8101422 0.85 DPP4 (0.45) ELOVL6GAATDP1MAPK1KDM4E
SCHEMBL3800885 0.83 DPP4 (0.44) ELOVL6GAATDP1PPARGPPARA
SCHEMBL3744756 0.83 ELOVL6 (0.40) ELOVL6GAATDP1MAPK1KDM4E
SCHEMBL3749600 0.82 ELOVL6 (0.39) ELOVL6GAATDP1MAPK1KDM4E
SCHEMBL895743 0.82 ELANE (0.32) AAK1DPP4
SCHEMBL3738589 0.82 ELOVL6 (0.50) ELOVL6GAATDP1MAPK1KDM4E

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.