SCHEMBL139871

SCHEMBL139871

Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
CYP3A4 P08684 1/20 0.58
MCOLN3 Q8TDD5 1/20 0.43
KAT2B Q92831 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
GPR35 Q9HC97 1/20 0.40
VCAM1 P19320 2/20 0.40
ACHE P22303 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL29769161 1.00 TSHR (0.58) TSHRCYP3A4MCOLN3KAT2BMEN1
SCHEMBL137704 0.86 TSHR (0.58) TSHRCYP3A4MCOLN3KAT2BMEN1
SCHEMBL15703077 0.84 TSHR (0.60) TSHRCYP3A4MCOLN3KAT2BMEN1
SCHEMBL30908542 0.84 TSHR (0.60) TSHRCYP3A4MCOLN3KAT2BMEN1
SCHEMBL28778586 0.82 TSHR (0.58) TSHRCYP3A4MCOLN3KAT2BMEN1
SCHEMBL7592333 0.82 TSHR (0.58) TSHRCYP3A4MCOLN3KAT2BMEN1
SCHEMBL27794455 0.81 TSHR (0.56) TSHRCYP3A4MCOLN3KAT2BMEN1
SCHEMBL23668294 0.80 ALDH1A1 (0.52) TSHRCYP3A4MEN1KMT2ASMN1; SMN2
SCHEMBL2062571 0.80 MAPK1 (0.58) TSHRMEN1KMT2ASMN1; SMN2VCAM1
SCHEMBL20651236 0.80 TSHR (0.60) TSHRCYP3A4MCOLN3KAT2BMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240132480-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE TRI-INSTITUTIONAL THERAPEUTICS DISCOVERY INSTITUTE, INC. 2024-04-25 US disclosed
WO-2022150574-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE CORNELL UNIVERSITY (US) 2022-07-14 WO 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
US-9816127-B2 Oxidized glutathione assay PROMEGA CORPORATION (US) 2017-11-14 US disclosed
CN-103492028-B Sulfonaminoquinoline hepcidin antagonists 维福(国际)股份公司 2017-02-08 CN disclosed
EP-2675526-B1 NOVEL SULFONAMINOQUINOLINE HEPCIDIN ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2017-02-01 EP disclosed
EP-2611929-B1 OXIDIZED GLUTATHIONE ASSAY PROMEGA CORP (US) 2016-01-13 EP disclosed
CN-103492028-A Novel sulfonaminoquinoline hepcidin antagonists VIFOR INT AG 2014-01-01 CN disclosed
EP-2675526-A1 NOVEL SULFONAMINOQUINOLINE HEPCIDIN ANTAGONISTS Vifor (International) AG (CH) 2013-12-25 EP disclosed
EP-2611929-A1 OXIDIZED GLUTATHIONE ASSAY Promega Corporation (US) 2013-07-10 EP disclosed
WO-2012110603-A1 NOVEL SULFONAMINOQUINOLINE HEPCIDIN ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2012-08-23 WO disclosed
US-20120214803-A1 Novel Sulfonaminoquinoline Hepcidin Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-23 US disclosed
WO-2012030960-A1 OXIDIZED GLUTATHIONE ASSAY PROMEGA CORPORATION (US) 2012-03-08 WO disclosed
WO-2012030960-A1 OXIDIZED GLUTATHIONE ASSAY PROMEGA CORPORATION (US) 2012-03-08 WO 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
US-20120058501-A1 OXIDIZED GLUTATHIONE ASSAY JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2012-03-08 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 (2 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-20240132480-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE DLD, GCDH, DLAT TSHR 2338/4885CYP3A4 2645/4885MCOLN3 2593/4885
US-20120214803-A1 Novel Sulfonaminoquinoline Hepcidin Antagonists HAMP, SLC40A1, FTH1 TSHR 1004/4885CYP3A4 2693/4885MCOLN3 2264/4885

“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.