SCHEMBL2017578

SCHEMBL2017578

CNc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.64
CA2 P00918 3/20 0.64
CA1 P00915 2/20 0.64
ENPP2 Q13822 2/20 0.52
ALDH1A1 P00352 2/20 0.52
RECQL P46063 2/20 0.52
HSD17B10 Q99714 2/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
THRB P10828 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
CASP1 P29466 1/20 0.52
HIF1A Q16665 1/20 0.52
CA9 Q16790 2/20 0.52
TGM2 P21980 1/20 0.50
PTGS2 P35354 2/20 0.48
PTGS1 P23219 1/20 0.48
ATM Q13315 1/20 0.46

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
Hydrochloric Acid SCHEMBL28024787 0.98 CA12 (0.61) CA12CA2CA1ENPP2ALDH1A1
SCHEMBL16965230 0.93 CA12 (0.57) CA12CA2CA1ENPP2ALDH1A1
SCHEMBL27611963 0.84 CA12 (0.48) CA12CA2CA1ENPP2ALDH1A1
SCHEMBL25667539 0.82 ENPP2 (0.54) CA12CA2CA1ENPP2CA9
SCHEMBL8418962 0.82 CA12 (0.67) CA12CA2CA1ALDH1A1RECQL
SCHEMBL6807008 0.81 ENPP2 (0.48) CA12CA2CA1ENPP2ALDH1A1
SCHEMBL2376239 0.81 ENPP2 (0.72) ENPP2PTGS2
Hydrochloric Acid SCHEMBL6511659 0.79 ENPP2 (0.46) CA12CA2CA1ENPP2ALDH1A1
SCHEMBL25511708 0.79 CA12 (0.56) CA12CA2CA1ALDH1A1RECQL
SCHEMBL23129682 0.78 ENPP2 (0.50) CA12CA2CA1ENPP2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024196936-A2 LOCALIZED HIGH CONCENTRATION ELECTROLYTE AND LITHIUM-ION BATTERY COMPRISING THE SAME SILA NANOTECHNOLOGIES, INC. (US) 2024-09-26 WO claimed
US-20240322244-A1 LOCALIZED HIGH CONCENTRATION ELECTROLYTE AND LITHIUM-ION BATTERY COMPRISING THE SAME SILA NANOTECHNOLOGIES, INC. 2024-09-26 US claimed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
CN-107205391-A Histone demethylase inhibitors 赛尔基因昆蒂赛尔研究公司 2017-09-26 CN claimed
US-8367667-B2 Pyrrole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2013-02-05 US claimed
CN-102617578-A Imidazole derivative and medicine application thereof HUTCHISON WHAMPOA SHANGHAI LTD 2012-08-01 CN claimed
US-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2011-12-08 US claimed
CN-101423518-A Imidazole derivative and medical application thereof HUTCHISON MEDIPHARMA SHANGHAI (CN) 2009-05-06 CN claimed
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-09-25 US claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
WO-2024196936-A2 LOCALIZED HIGH CONCENTRATION ELECTROLYTE AND LITHIUM-ION BATTERY COMPRISING THE SAME SILA NANOTECHNOLOGIES, INC. (US) 2024-09-26 WO disclosed
US-20240322244-A1 LOCALIZED HIGH CONCENTRATION ELECTROLYTE AND LITHIUM-ION BATTERY COMPRISING THE SAME SILA NANOTECHNOLOGIES, INC. 2024-09-26 US disclosed
WO-2023159307-A9 POLO-LIKE KINASE 4 (PLK4) INHIBITORS, PHARMACEUTICAL COMPOSITIONS, METHODS OF PREPARATION AND USES THEREOF REPARE THERAPEUTICS INC. (CA) 2024-03-21 WO disclosed
CN-117396471-A Novel piperidine derivatives and pharmaceutical compositions for inhibiting autotaxin comprising the same 株式会社次代生物科学 2024-01-12 CN disclosed
WO-2005056004-A1 N-ALKYL PYRROLES AS HMG-COA REDUCTASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-06-23 WO disclosed
EP-1487824-A1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-22 EP disclosed
WO-2003074515-A1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 WO disclosed
CN-1278794-A Substituted 2-hydroxyindole derivatives as inhibitors of protein tyrosine kinases and protein serine/threonine kinases GLAXO GROUP LTD (GB) 2001-01-03 CN 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-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 CA12 3901/4885CA2 1737/4885CA1 2327/4885
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 CA12 3901/4885CA2 1737/4885CA1 2327/4885

“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.