SCHEMBL2736355

SCHEMBL2736355

COC(=O)[C@@H](N)Cc1cscn1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.45
DPP8 Q6V1X1 2/20 0.45
DPP9 Q86TI2 2/20 0.45
OPRD1 P41143 1/20 0.41
GPR88 Q9GZN0 1/20 0.39
CNR2 P34972 1/20 0.38
GPR142 Q7Z601 3/20 0.37
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SYK P43405 1/20 0.36
CAPN1 P07384 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
PDE10A Q9Y233 1/20 0.35
CTSK P43235 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
SLC6A3 Q01959 1/20 0.35
PKM P14618 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
SCHEMBL3783139 1.00 DPP4 (0.45) DPP4DPP8DPP9OPRD1GPR88
SCHEMBL19699150 1.00 DPP4 (0.45) DPP4DPP8DPP9OPRD1GPR88
Hydrochloric Acid SCHEMBL1631417 0.98 DPP4 (0.44) DPP4DPP8DPP9OPRD1GPR88
Hydrochloric Acid SCHEMBL27505777 0.98 DPP4 (0.44) DPP4DPP8DPP9OPRD1GPR88
Hydrochloric Acid SCHEMBL7385109 0.98 DPP4 (0.44) DPP4DPP8DPP9OPRD1GPR88
Hydrochloric Acid SCHEMBL7276844 0.98 DPP4 (0.44) DPP4DPP8DPP9OPRD1GPR88
SCHEMBL7299950 0.85 DPP4 (0.44) DPP4DPP8DPP9OPRD1GPR88
SCHEMBL21299168 0.84 DPP4 (0.45) DPP4DPP8DPP9OPRD1GPR88
SCHEMBL3136686 0.84 DPP4 (0.43) DPP4DPP8DPP9OPRD1GPR88
SCHEMBL11922954 0.83 CTSK (0.38) DPP4DPP8DPP9GPR88CNR2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10787482-B2 Epoxyketone compounds for enzyme inhibition Centrax International Inc. (US) 2020-09-29 US disclosed
US-10669242-B2 Clostridium difficile toxin inhibitors Venenum Biodesign, LLC (US) 2020-06-02 US disclosed
US-10640533-B2 Epoxyketone compounds for enzyme inhibition CENTRAX INTERNATIONAL, INC. (US) 2020-05-05 US disclosed
US-20200087343-A1 EPOXYKETONE COMPOUNDS FOR ENZYME INHIBITION CENTRAX INTERNATIONAL, INC. (US) 2020-03-19 US disclosed
US-20190194147-A1 Novel Clostridium Difficile Toxin Inhibitors Venenum Biodesign, LLC (US) 2019-06-27 US disclosed
EP-3166933-B1 EPOXYKETONE COMPOUNDS FOR ENZYME INHIBITION CENTRAX INT INC (US) 2018-08-01 EP disclosed
WO-2017214359-A1 NOVEL CLOSTRIDIUM DIFFICILE TOXIN INHIBITORS VENENUM BIODESIGN LLC (US) 2017-12-14 WO disclosed
US-20170158734-A1 EPOXYKETONE COMPOUNDS FOR ENZYME INHIBITION CENTRAX INTERNATIONAL, INC. (US) 2017-06-08 US disclosed
US-20170158734-A1 EPOXYKETONE COMPOUNDS FOR ENZYME INHIBITION CENTRAX INTERNATIONAL, INC. (US) 2017-06-08 US disclosed
EP-2534132-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2017-04-26 EP disclosed
US-8354444-B2 Substituted pyrrolidine-2-carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
US-8088770-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-8088770-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-7932240-B2 Phosphadiazine HCV polymerase inhibitors IV IDENIX PHARMACEUTICALS, INC. (US) 2011-04-26 US disclosed
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides F. HOFFMANN-LA ROCHE AG (CH) 2010-06-17 US disclosed
US-20090181902-A1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES,INC. (US) 2009-07-16 US disclosed
US-20090181902-A1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES,INC. (US) 2009-07-16 US disclosed
US-20090081158-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX PHARMACEUTICALS, INC. (US) 2009-03-26 US disclosed
WO-2009008989-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2009-01-15 WO disclosed
US-4994477-A Hypotensive agents ABBOTT LABORATORIES (US) 1991-02-19 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 (9 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-20090181902-A1 Modulators of pharmacokinetic properties of therapeutics SLC10A1, SLC10A2, SLC26A4 DPP4 629/4885DPP8 769/4885DPP9 1274/4885
US-20090081158-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV POLI, ITPA, POLR2H DPP4 317/4885DPP8 921/4885DPP9 1300/4885
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides ARG2, CCNY, PYCR1 DPP4 2985/4885DPP8 3178/4885DPP9 2725/4885
US-20190194147-A1 Novel Clostridium Difficile Toxin Inhibitors GABRA5, GABRA1, GABRA4 DPP4 1768/4885DPP8 2990/4885DPP9 1766/4885
US-10787482-B2 Epoxyketone compounds for enzyme inhibition PSMD10, PSMC1, PSMB10 DPP4 1169/4885DPP8 620/4885DPP9 1037/4885
US-10640533-B2 Epoxyketone compounds for enzyme inhibition PSMD10, PSMC1, PSMB10 DPP4 1169/4885DPP8 620/4885DPP9 1037/4885
US-10669242-B2 Clostridium difficile toxin inhibitors GABRA5, GABRA1, GABBR2 DPP4 1509/4885DPP8 2790/4885DPP9 1550/4885
US-20170158734-A1 EPOXYKETONE COMPOUNDS FOR ENZYME INHIBITION PSMD10, PSMC1, PSMB10 DPP4 1169/4885DPP8 620/4885DPP9 1037/4885
US-20200087343-A1 EPOXYKETONE COMPOUNDS FOR ENZYME INHIBITION PSMD10, PSMC1, PSMB10 DPP4 1169/4885DPP8 620/4885DPP9 1037/4885

“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.