SCHEMBL3533168

SCHEMBL3533168

CS(=O)(=O)Nc1ccn2c3c(nc2c1)C[C@H](c1cc(F)c(F)cc1F)[C@H](NC(=O)O)C3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.43
DPP7 Q9UHL4 5/20 0.43
KCNH2 Q12809 3/20 0.43
DPP9 Q86TI2 1/20 0.43
ADAMTS5 Q9UNA0 4/20 0.33
ADAMTS4 O75173 2/20 0.33
MMP14 P50281 2/20 0.33
MMP3 P08254 1/20 0.33
ADAM17 P78536 1/20 0.33
CYP2D6 P10635 2/20 0.33
ADRA2A P08913 1/20 0.32
ADRA1A P35348 1/20 0.32
MMP1 P03956 1/20 0.32
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 3/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31
LMNA P02545 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
SCHEMBL3532203 0.85 DPP4 (0.35) DPP4DPP7KCNH2DPP9CYP2D6
SCHEMBL3535589 0.84 DPP4 (0.47) DPP4DPP7KCNH2DPP9CYP2D6
SCHEMBL2472453 0.83 DPP4 (0.42) DPP4DPP7KCNH2DPP9ADAMTS5
SCHEMBL17137865 0.81 DPP4 (0.35) DPP4DPP7DPP9DPP8
SCHEMBL17137856 0.81 DPP4 (0.33) DPP4DPP7KCNH2DPP9ADAMTS5
SCHEMBL17137855 0.81 DPP4 (0.33) DPP4DPP7KCNH2DPP9ADAMTS5
SCHEMBL3539136 0.80 DPP4 (0.33) DPP4DPP7ADAMTS5ADAMTS4MMP3
SCHEMBL17137872 0.80 DPP4 (0.33) DPP4DPP7KCNH2DPP9CYP2D6
SCHEMBL17137878 0.80 GPER1 (0.33)
SCHEMBL17137867 0.80 DPP4 (0.31) DPP4DPP7KCNH2DPP9CYP2D6

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-7718667-B2 Fused aminopiperidines as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2010-05-18 US disclosed
US-20080009510-A1 Fused Aminopiperidine as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME LLC 2008-01-10 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-20080009510-A1 Fused Aminopiperidine as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 DPP4 1/4885DPP7 3/4885KCNH2 2048/4885

“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.