Sugi Predict

Sugi Predict / Compounds / SCHEMBL138981

SCHEMBL138981

SCHEMBL138981

O=C(O)[C@H]1CSC(c2ccc3cc(Oc4ccc([N+](=O)[O-])c(C(F)(F)F)c4)ccc3n2)=N1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ESRRA P11474 1/20 0.38
▸ GPR35 Q9HC97 1/20 0.36
▸ SCN9A Q15858 15/20 0.36
▸ SCN10A Q9Y5Y9 1/20 0.35
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL21016728 1.00 ESRRA (0.38) ESRRAGPR35SCN9ASCN10AHDAC1
SCHEMBL21017133 0.87 MEN1 (0.42) GPR35SCN9ASCN10A
SCHEMBL140077 0.87 MEN1 (0.42) GPR35SCN9ASCN10A
SCHEMBL19393319 0.86 GPR35 (0.38) GPR35SCN9ASCN10A
SCHEMBL21017384 0.86 CYP1A2 (0.36) ESRRAGPR35SCN9ASCN10AHDAC1
SCHEMBL138900 0.86 LMNA (0.43) ESRRASCN9A
SCHEMBL203545 0.86 CYP1A2 (0.36) ESRRAGPR35SCN9ASCN10AHDAC1
SCHEMBL19393317 0.85 GPR35 (0.38) GPR35SCN9ASCN10A
SCHEMBL140399 0.85 HDAC1 (0.48) GPR35HDAC1HDAC8HDAC6
SCHEMBL139841 0.83 GPR35 (0.38) GPR35HDAC1HDAC8HDAC6

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 26 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-20190031629-A1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2019-01-31 — — US disclosed
US-20180030503-A1 OXIDIZED GLUTATHIONE ASSAY JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2018-02-01 — — 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
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
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
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
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
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 ESRRA 4514/4885GPR35 3011/4885SCN9A 3880/4885
US-20080299593-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions GLB1, NOD1, PYCARD ESRRA 4514/4885GPR35 3011/4885SCN9A 3880/4885
US-20190031629-A1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS GLB1, NOD1, PYCARD ESRRA 4514/4885GPR35 3011/4885SCN9A 3880/4885
US-20160176830-A1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS GLB1, NOD1, PYCARD ESRRA 4512/4885GPR35 3035/4885SCN9A 3870/4885
US-20070015790-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions GLB1, NOD1, PYCARD ESRRA 4268/4885GPR35 3523/4885SCN9A 3514/4885

“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.