SCHEMBL203545

SCHEMBL203545

O=C(O)[C@H]1CSC(c2ccc3cc(Oc4ccc([N+](=O)[O-])cc4C(F)(F)F)ccc3n2)=N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
GPR35 Q9HC97 1/20 0.35
SCN9A Q15858 6/20 0.33
EIF4A1 P60842 3/20 0.33
ALDH1A1 P00352 2/20 0.32
PYGL P06737 1/20 0.32
ESRRA P11474 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
MEN1 O00255 1/20 0.31
TTR P02766 1/20 0.31
PPOX P50336 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
RAB9A P51151 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL21017384 1.00 CYP1A2 (0.36) CYP1A2CYP2C9CYP2C19HDAC1HDAC8
SCHEMBL139847 0.87 HDAC1 (0.37) HDAC1HDAC8HDAC6GPR35EIF4A1
SCHEMBL140399 0.86 HDAC1 (0.48) CYP2C9CYP2C19HDAC1HDAC8HDAC6
SCHEMBL12958896 0.86 CYP1A2 (0.37) CYP1A2CYP2C9CYP2C19HDAC1HDAC8
SCHEMBL138981 0.86 ESRRA (0.38) HDAC1HDAC8HDAC6GPR35SCN9A
SCHEMBL21016728 0.86 ESRRA (0.38) HDAC1HDAC8HDAC6GPR35SCN9A
SCHEMBL138900 0.85 LMNA (0.43) CYP2C9CYP2C19SCN9AALDH1A1ESRRA
SCHEMBL21017133 0.84 MEN1 (0.42) CYP2C9GPR35SCN9AALDH1A1SCN10A
SCHEMBL140077 0.84 MEN1 (0.42) CYP2C9GPR35SCN9AALDH1A1SCN10A
SCHEMBL137676 0.82 MAPT (0.41) HDAC1HDAC8HDAC6GPR35ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10889849-B2 Oxidized glutathione assay PROMEGA CORPORATION (US) 2021-01-12 US disclosed
US-10745365-B2 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions PROMEGA CORPORATION (US) 2020-08-18 US disclosed
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
EP-2778234-B1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS PROMEGA CORP (US) 2017-09-27 EP disclosed
US-20160176830-A1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2016-06-23 US disclosed
EP-2277872-B1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions PROMEGA CORP (US) 2016-03-23 EP 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-20140154716-A1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS PROMEGA CORPORATION 2014-06-05 US disclosed
US-7951550-B2 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions PROMEGA CORPORATION (US) 2011-05-31 US disclosed
US-7951550-B2 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions PROMEGA CORPORATION (US) 2011-05-31 US disclosed
EP-2277872-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions Promega Corporation (US) 2011-01-26 EP disclosed
EP-2272973-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions Promega Corporation (US) 2011-01-12 EP disclosed
EP-2272972-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions Promega Corporation (US) 2011-01-12 EP disclosed
US-20080299593-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions PROMEGA CORPORATION (US) 2008-12-04 US disclosed
US-20080299593-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions PROMEGA CORPORATION (US) 2008-12-04 US 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
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 (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-10745365-B2 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions GLB1, NOD1, PYCARD CYP1A2 1608/4885CYP2C9 1383/4885CYP2C19 1682/4885
US-20080299593-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions GLB1, NOD1, PYCARD CYP1A2 1608/4885CYP2C9 1383/4885CYP2C19 1682/4885
US-20140154716-A1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS GLB1, NOD1, PYCARD CYP1A2 1608/4885CYP2C9 1383/4885CYP2C19 1682/4885
US-20160176830-A1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS GLB1, NOD1, PYCARD CYP1A2 1592/4885CYP2C9 1352/4885CYP2C19 1655/4885
US-20070015790-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions GLB1, NOD1, PYCARD CYP1A2 2828/4885CYP2C9 2932/4885CYP2C19 3163/4885

“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.