SCHEMBL15524327

SCHEMBL15524327

CS(=O)(=O)n1cc2c(n1)CN(C(=O)O)C2

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.39
USP9X Q93008 1/20 0.39
DPP4 P27487 17/20 0.38
AMY1A P0DUB6 3/20 0.37
PTPN1 P18031 3/20 0.37
KCNH2 Q12809 1/20 0.36

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
SCHEMBL23430681 0.88 DPP4 (0.40) KDM1AUSP9XDPP4AMY1APTPN1
SCHEMBL18760087 0.85 USP9X (0.38) KDM1AUSP9XDPP4AMY1APTPN1
SCHEMBL25500318 0.84 HDAC8 (0.39) KDM1AUSP9XDPP4AMY1APTPN1
SCHEMBL25500337 0.84 USP9X (0.41) KDM1AUSP9XDPP4AMY1APTPN1
SCHEMBL20483601 0.82 DPP4 (0.40) USP9XDPP4KCNH2
SCHEMBL28044985 0.80 USP9X (0.35) USP9XKCNH2
SCHEMBL2364142 0.80 DPP4 (0.41) USP9XDPP4KCNH2
SCHEMBL15161199 0.78 DPP4 (0.44) KDM1ADPP4AMY1APTPN1KCNH2
SCHEMBL28877856 0.77 HDAC1 (0.42) KDM1AUSP9X
SCHEMBL30706257 0.76 POLB (0.44) USP9X

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-9181262-B2 Crystalline forms of a dipeptidyl peptidase-IV inhibitors MERCK SHARP & DOHME CORP (US) 2015-11-10 US disclosed
US-20150099891-A1 NOVEL CRYSTALLINE FORMS OF A DIPEPTIDYL PEPTIDASE-IV INHIBITORS MERCK SHARP & DOHME LLC 2015-04-09 US disclosed
US-8895603-B2 Crystalline forms of a dipeptidyl peptidase-IV inhibitor MERCK SHARP & DOHME CORP. (US) 2014-11-25 US disclosed
US-20140107346-A1 PROCESS FOR PREPARING CHIRAL DIPEPTIDYL PEPTIDASE-IV INHIBITORS MERCK SHARP & DOHME LTD. (GB) 2014-04-17 US disclosed
US-20140080884-A1 NOVEL CRYSTALLINE FORMS OF A DIPEPTIDYL PEPTIDASE-IV INHIBITOR MERCK SHARP & DOHME LTD. (GB) 2014-03-20 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 (3 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-20140107346-A1 PROCESS FOR PREPARING CHIRAL DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP7, DPP3 KDM1A 2447/4885USP9X 1871/4885DPP4 1/4885
US-20150099891-A1 NOVEL CRYSTALLINE FORMS OF A DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP3, DPP7 KDM1A 2000/4885USP9X 1823/4885DPP4 1/4885
US-20140080884-A1 NOVEL CRYSTALLINE FORMS OF A DIPEPTIDYL PEPTIDASE-IV INHIBITOR DPP4, DPP3, DPP7 KDM1A 2052/4885USP9X 1759/4885DPP4 1/4885

“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.