SCHEMBL16841685

SCHEMBL16841685

O=C(NS(=O)(=O)n1cc2c(n1)CNC2)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.46
CA1 P00915 5/20 0.45
CA2 P00918 5/20 0.45
CA12 O43570 2/20 0.45
CA9 Q16790 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.39
ACHE P22303 3/20 0.38
POLB P06746 1/20 0.38
P2RX7 Q99572 1/20 0.37
LMNA P02545 1/20 0.36
MMP8 P22894 2/20 0.36
MMP3 P08254 1/20 0.36
HTR2C P28335 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
PTGER1 P34995 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35

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
SCHEMBL15036575 0.70 CA1 (0.57) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL16747298 0.70 CA1 (0.57) DPP4CA1CA2CA12CA9
SCHEMBL25511865 0.69 PIK3CD (0.41) DPP4SMN1; SMN2POLBLMNAHTR2C
SCHEMBL16747115 0.69 CA1 (0.59) DPP4CA1CA2CA12CA9
SCHEMBL5919563 0.68 CA1 (0.76) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL10350776 0.68 CA1 (0.55) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL13400313 0.68 CA12 (0.48) CA1CA2CA12CA9ALDH1A1
SCHEMBL16747185 0.67 MEN1 (0.56) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL14690519 0.67 CA1 (0.53) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL29243230 0.67 CA1 (0.53) DPP4CA1CA2CA12CA9

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-9156848-B2 Treating diabetes with dipeptidyl peptidase-IV inhibitors MERCK SHARP & DOHME CORP. (US) 2015-10-13 US disclosed
US-9156848-B2 Treating diabetes with dipeptidyl peptidase-IV inhibitors MERCK SHARP & DOHME CORP. (US) 2015-10-13 US disclosed
US-20150175609-A1 TREATING DIABETES WITH DIPEPTIDYL PEPTIDASE-IV INHIBITORS MERCK SHARP & DOHME LLC 2015-06-25 US disclosed
US-20150175609-A1 TREATING DIABETES WITH DIPEPTIDYL PEPTIDASE-IV INHIBITORS MERCK SHARP & DOHME LLC 2015-06-25 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-20150175609-A1 TREATING DIABETES WITH DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP3, DPP7 DPP4 1/4885CA1 2471/4885CA2 671/4885

“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.