SCHEMBL137698

SCHEMBL137698

Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Oc1ccc2nc(C3=N[C@@H](C(=O)O)CS3)sc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.52
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
HTT P42858 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SCD O00767 1/20 0.36
PTPN1 P18031 1/20 0.35
MAPT P10636 5/20 0.35
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
XBP1 P17861 1/20 0.35
RECQL P46063 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DYRK1A Q13627 1/20 0.35
APP P05067 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
SCHEMBL17861117 1.00 GPR35 (0.52) GPR35CCNE1CDK2CDK5CDK5R1
SCHEMBL17856898 0.94 GPR35 (0.44) GPR35CCNE1CDK2CDK5CDK5R1
SCHEMBL15080286 0.88 GPR35 (0.56) GPR35CCNE1CDK2CDK5CDK5R1
SCHEMBL17861122 0.88 GPR35 (0.56) GPR35CCNE1CDK2CDK5CDK5R1
SCHEMBL139855 0.88 GPR35 (0.56) GPR35CCNE1CDK2CDK5CDK5R1
SCHEMBL255379 0.87 GPR35 (0.52) GPR35CCNE1CDK2CDK5CDK5R1
SCHEMBL140432 0.87 GPR35 (0.52) GPR35CCNE1CDK2CDK5CDK5R1
SCHEMBL17613172 0.87 GPR35 (0.55) GPR35SMN1; SMN2SCDMAPTKMT2A
SCHEMBL140675 0.86 GPR35 (0.52) GPR35CCNE1CDK2CDK5CDK5R1
SCHEMBL17861143 0.86 GPR35 (0.52) GPR35HTTSMN1; SMN2SCDMAPT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180030503-A1 OXIDIZED GLUTATHIONE ASSAY JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2018-02-01 US disclosed
US-9816127-B2 Oxidized glutathione assay PROMEGA CORPORATION (US) 2017-11-14 US disclosed
US-9816127-B2 Oxidized glutathione assay PROMEGA CORPORATION (US) 2017-11-14 US disclosed
EP-2611929-B1 OXIDIZED GLUTATHIONE ASSAY PROMEGA CORP (US) 2016-01-13 EP disclosed
EP-2778234-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions Promega Corporation (US) 2014-09-17 EP disclosed
US-20120058501-A1 OXIDIZED GLUTATHIONE ASSAY JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2012-03-08 US disclosed
US-20120058501-A1 OXIDIZED GLUTATHIONE ASSAY JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2012-03-08 US disclosed
WO-2012030960-A1 OXIDIZED GLUTATHIONE ASSAY PROMEGA CORPORATION (US) 2012-03-08 WO disclosed
EP-2277872-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions Promega Corporation (US) 2011-01-26 EP disclosed
EP-1935986-A2 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions PROMEGA CORPORATION (US) 2008-06-25 EP disclosed
US-20070015790-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2007-01-18 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-20070015790-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions GLB1, NOD1, PYCARD GPR35 3523/4885CCNE1 4441/4885CDK2 3770/4885

“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.