SCHEMBL4095461

SCHEMBL4095461

CS(=O)(=O)c1ccc(C(=N)NO)cc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.48
PTGS2 P35354 5/20 0.44
MAOB P27338 1/20 0.42
KMT2A Q03164 1/20 0.42
GSR P00390 1/20 0.42
AKR1C3 P42330 1/20 0.42

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
SCHEMBL4392744 0.82 ENPP2 (0.47) ENPP2PTGS2KMT2AGSRAKR1C3
Hydrochloric Acid SCHEMBL4395018 0.81 ENPP2 (0.45) ENPP2PTGS2KMT2AGSRAKR1C3
SCHEMBL3552882 0.81 SMN1; SMN2 (0.52)
SCHEMBL312685 0.80 CA2 (0.60) MAOBKMT2A
SCHEMBL4394070 0.79 MAPT (0.48)
SCHEMBL410488 0.78 SMN1; SMN2 (0.50) KMT2A
SCHEMBL4422041 0.78 HDAC6 (0.57) KMT2A
SCHEMBL12348299 0.78 HSD17B10 (0.36)
SCHEMBL4394101 0.77 HTT (0.58) KMT2A
SCHEMBL27101158 0.76 RCE1 (0.41) KMT2A

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
CN-101321525-B Heteroaryl substituted piperidine derivatives as L-CPT1 inhibitors HOFFMANN LA ROCHE 2013-01-30 CN disclosed
EP-2013201-B1 HETEROCYCLIC GPCR AGONISTS PROSIDION LTD (GB) 2012-07-25 EP disclosed
US-20090325924-A1 GPCR Agonists PROSIDION LIMITED (GB) 2009-12-31 US disclosed
EP-1959951-B1 HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2009-12-23 EP disclosed
US-20090221639-A1 Heterocyclic GPCR Agonists PROSIDION LIMITED (GB) 2009-09-03 US disclosed
CN-101321525-A Heteroaryl substituted piperidine derivatives as L-CPT1 inhibitors HOFFMANN LA ROCHE (CH) 2008-12-10 CN disclosed
CN-101287729-A GPCR agonists PROSIDION LTD (GB) 2008-10-15 CN disclosed
EP-1907383-A1 GPCR AGONISTS Prosidion Limited (GB) 2008-04-09 EP disclosed
US-20080064728-A1 Heterocyclic Compounds Useful as Dpp-Iv Inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2008-03-13 US disclosed
US-20080027035-A1 Dpp-Iv Inhibitors GRAFFINITY PHARMACEUTICALS AG (DE) 2008-01-31 US disclosed
WO-2007003960-A1 GPCR AGONISTS PROSIDION LIMITED (GB) 2007-01-11 WO disclosed
EP-1623983-A1 Heterocyclic compounds useful as DPP-IV inhibitors Santhera Pharmaceuticals (Deutschland) Aktiengesellschaft (DE) 2006-02-08 EP disclosed
EP-1613304-A1 DPP-IV INHIBITORS Graffinity Pharmaceuticals Aktiengesellschaft (DE) 2006-01-11 EP disclosed
EP-1423120-A4 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORP (US) 2005-12-28 EP disclosed
US-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 US disclosed
WO-2005056003-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-06-23 WO disclosed
CN-1568187-A 2H-2,3-dinitrogen phenodiazine-1-ketone and using method thereof ICOS CORP (US) 2005-01-19 CN disclosed
EP-1423120-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2004-06-02 EP disclosed
US-20040087588-A1 Parp inhibitors ICOS CORPORATION 2004-05-06 US disclosed
WO-2003015785-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2003-02-27 WO 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 (5 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-20080027035-A1 Dpp-Iv Inhibitors DPP4, DPP7, DPP3 ENPP2 147/4885PTGS2 2800/4885MAOB 706/4885
US-20090325924-A1 GPCR Agonists GPR119, GCGR, GPR27 ENPP2 848/4885PTGS2 1870/4885MAOB 1651/4885
US-20040087588-A1 Parp inhibitors PARP1, PARP2, PARP11 ENPP2 1104/4885PTGS2 1776/4885MAOB 1227/4885
US-20080064728-A1 Heterocyclic Compounds Useful as Dpp-Iv Inhibitors DPP4, DPP7, DPP3 ENPP2 393/4885PTGS2 3335/4885MAOB 559/4885
US-20090221639-A1 Heterocyclic GPCR Agonists GPR119, GCGR, GLP1R ENPP2 886/4885PTGS2 1514/4885MAOB 1879/4885

“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.