SCHEMBL2025933

SCHEMBL2025933

NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.58
CA2 P00918 7/20 0.53
CA1 P00915 6/20 0.53
CA12 O43570 6/20 0.53
CA9 Q16790 5/20 0.53
CA5A P35218 2/20 0.53
CA14 Q9ULX7 2/20 0.53
CA3 P07451 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA7 P43166 1/20 0.53
CA13 Q8N1Q1 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
KMT2A Q03164 2/20 0.51
HSD11B1 P28845 1/20 0.50
VCAM1 P19320 1/20 0.49
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CRHBP P24387 1/20 0.47

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
SCHEMBL390643 0.86 ALDH1A1 (0.59) HSD17B10CA2CA1CA12CA9
SCHEMBL1817485 0.84 HSD17B10 (0.60) HSD17B10KMT2AHSD11B1VCAM1ALDH1A1
SCHEMBL31518627 0.84 HSD17B10 (0.60) HSD17B10KMT2AHSD11B1VCAM1ALDH1A1
SCHEMBL7830990 0.82 HSD17B10 (0.58) HSD17B10KMT2AHSD11B1VCAM1ALDH1A1
SCHEMBL5082000 0.82 HSD17B10 (0.58) HSD17B10KMT2AHSD11B1VCAM1ALDH1A1
SCHEMBL7830991 0.81 HSD17B10 (0.56) HSD17B10KMT2AHSD11B1VCAM1ALDH1A1
Hydrochloric Acid SCHEMBL28240861 0.81 HSD17B10 (0.56) HSD17B10KMT2AHSD11B1VCAM1ALDH1A1
SCHEMBL29426295 0.80 TDP1 (0.58) CA2CA1CA12CA9CA5A
SCHEMBL10034888 0.80 GPR35 (0.56) CA2CA1CA12CA9CA5A
SCHEMBL1219754 0.80 TDP1 (0.58) CA2CA1CA12CA9CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10781197-B2 Sulfonamide analogues of galiellalactone GLACTONE PHARMA DEVELOPMENT AB (SE) 2020-09-22 US disclosed
US-20200087274-A1 SULFONAMIDE ANALOGUES OF GALIELLALACTONE GLACTONE PHARMA DEVELOPMENT AB (SE) 2020-03-19 US disclosed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP disclosed
CN-108395435-A Triazolopyrimidine sulfonamides compound and its preparation method and application 深圳大学 2018-08-14 CN disclosed
EP-1844020-B1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS EXELIXIS INC (US) 2017-09-06 EP disclosed
CN-105585517-A N-chloro-aryl sulphinyl sulfimide and preparation method thereof UNIV BEIJING CHEMICAL TECH 2016-05-18 CN disclosed
US-8367667-B2 Pyrrole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2013-02-05 US disclosed
US-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2011-12-08 US disclosed
US-8026237-B2 For modulating activity of one or more steroid nuclear receptors and for treatment, prevention, or amelioration of symptoms of disease or disorder related to the activity of receptors; 5-benzo[b]thiophen-2-yl-1,4-dimethyl-1H-pyrrole-3-carboxylic acid (4-methanesulfonyl-phenyl)-amide EXELIXIS, INC. (US) 2011-09-27 US disclosed
US-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands EXELIXIS, INC. (US) 2011-06-16 US disclosed
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-09-25 US disclosed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP disclosed
EP-1844020-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS Exelixis, Inc. (US) 2007-10-17 EP disclosed
CN-101006052-A Pyrrole derivatives as pharmaceutical agents EXELIXIS INC (US) 2007-07-25 CN disclosed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP disclosed
WO-2006076202-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTORS LIGANDS EXELIXIS, INC. (US) 2006-07-20 WO disclosed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO disclosed
EP-1594866-A1 ANTIPROLIFERATIVE 2-(SULFO-PHENYL)-AMINOTHIAZOLE DERIVATIVES PFIZER INC. (US) 2005-11-16 EP disclosed
US-20040176431-A1 Antiproliferative 2-(sulfo-phenyl)-aminothiazole derivatives and pharmaceutical compositions, and methods for their use PFIZER, INC. 2004-09-09 US disclosed
WO-2004072070-A1 ANTIPROLIFERATIVE 2-(SULFO-PHENYL)-AMINOTHIAZOLE DERIVATIVES PFIZER INC. (US) 2004-08-26 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 (6 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-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 HSD17B10 2768/4885CA2 1737/4885CA1 2327/4885
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 HSD17B10 2768/4885CA2 1737/4885CA1 2327/4885
US-10781197-B2 Sulfonamide analogues of galiellalactone STAT3, STAT1, STAT5A HSD17B10 1166/4885CA2 3636/4885CA1 3037/4885
US-20200087274-A1 SULFONAMIDE ANALOGUES OF GALIELLALACTONE STAT3, STAT1, STAT5A HSD17B10 1166/4885CA2 3636/4885CA1 3037/4885
US-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands NCOA1, NCOA2, NCOA3 HSD17B10 203/4885CA2 3115/4885CA1 3623/4885
US-20040176431-A1 Antiproliferative 2-(sulfo-phenyl)-aminothiazole derivatives and pharmaceutical compositions, and methods for their use MKI67, TK1, CDK2 HSD17B10 2308/4885CA2 2313/4885CA1 3833/4885

“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.