SCHEMBL20008502

SCHEMBL20008502

CN[C@@H](CC(C)=O)Cc1cc(F)c(F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.42
DPP7 Q9UHL4 4/20 0.36
DPP8 Q6V1X1 4/20 0.36
DPP9 Q86TI2 2/20 0.36
FAP Q12884 1/20 0.36
CYP3A4 P08684 2/20 0.34

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
SCHEMBL744346 0.87 DPP4 (0.42) DPP4DPP7DPP8DPP9CYP3A4
SCHEMBL743044 0.87 DPP4 (0.42) DPP4DPP7DPP8DPP9CYP3A4
SCHEMBL16750215 0.87 DPP4 (0.42) DPP4DPP7DPP8DPP9CYP3A4
SCHEMBL22950650 0.84 DPP4 (0.46) DPP4DPP7DPP8DPP9
SCHEMBL22950652 0.84 DPP4 (0.46) DPP4DPP7DPP8DPP9
SCHEMBL13005310 0.84 DPP4 (0.46) DPP4DPP7DPP8DPP9
SCHEMBL19544604 0.79 TAAR1 (0.41) DPP4DPP7DPP8DPP9CYP3A4
SCHEMBL22086028 0.78 PIN1 (0.45) DPP4DPP7
SCHEMBL15166515 0.78 DPP4 (0.49) DPP4DPP7DPP8CYP3A4
SCHEMBL12187618 0.78 DPP4 (0.39) DPP4DPP7DPP8DPP9FAP

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180086765-A1 NOVEL INTERMEDIATES FOR PREPARING DPP-IV INHIBITORS, PREPARING METHOD THEREOF AND PREPARING METHOD OF DPP-IV INHIBITORS USING THE SAME KYUNG DONG PHARM. CO., LTD. (KR) 2018-03-29 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-20180086765-A1 NOVEL INTERMEDIATES FOR PREPARING DPP-IV INHIBITORS, PREPARING METHOD THEREOF AND PREPARING METHOD OF DPP-IV INHIBITORS USING THE SAME DPP4, DPP7, DPP9 DPP4 1/4885DPP7 2/4885DPP8 4/4885

“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.