SCHEMBL161233

SCHEMBL161233

O=S([O-])c1ccc(F)cc1.[Na+]

nearest known ligand 0.41

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 4/20 0.41
CA2 known ✓ P00918 4/20 0.41
PTGS1 known ✓ P23219 1/20 0.34
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
ACHE P22303 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
Potassium Ion SCHEMBL11323343 0.95 CA1 (0.37) CA1CA2CES2CES1PTGS1
SCHEMBL3162012 0.87 NFE2L2 (0.48) PTGS1HTR2AHTR2CKCNH2FBP1
SCHEMBL3162027 0.87 NFE2L2 (0.48) PTGS1HTR2AHTR2CKCNH2FBP1
SCHEMBL5354757 0.78 CA12 (0.56) CA1CA2CA7CA9MMP1
SCHEMBL4070873 0.77 PGR (0.42) CA1CA2PTGS1CA9MEN1
SCHEMBL1583683 0.76 CES2 (0.36) CA1CES2CES1CA9
SCHEMBL10689245 0.74 MEN1 (0.42) CA1CA2CA7CA9MMP1
SCHEMBL3015881 0.74 CYP2A6 (0.42) CA1CA2CES2CES1CA9
SCHEMBL6691371 0.74 CA1 (0.41) CA1CA2MMP1MMP2MMP9
SCHEMBL749971 0.74 LMNA (0.42) CA1CA2CES2CES1CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120136752-A Alkenyl substituted tellurium organic compound, preparation method and application thereof in resisting plant pathogenic bacteria 贵州大学 2025-06-13 CN claimed
CN-118930487-A 1,3, 5-Trisubstituted pyrazole compound and preparation method thereof 赣南师范大学 2024-11-12 CN claimed
CN-118834161-A Preparation method of 3-sulfonyl-5-acetyl-1, 4 dihydropyridine compound 西北工业大学 2024-10-25 CN claimed
CN-118619916-A Sulfoxide imine N-sulfinylation compound and preparation method thereof 上海大学 2024-09-10 CN claimed
CN-117926289-A Method for electrochemically synthesizing N-sulfoamidine derivatives under mild condition 湘潭大学 2024-04-26 CN claimed
CN-117821998-A Sulfonylation reaction method for electrochemically catalyzing organic boric acid 南京林业大学 2024-04-05 CN claimed
CN-117430125-A Preparation method and application of manganese doped mesoporous structure-containing acidic Beta zeolite molecular sieve 常州大学 2024-01-23 CN claimed
CN-114230496-B Aromatic sulfinic acid compound and preparation method thereof 达高工业技术研究院(广州)有限公司 2023-07-14 CN claimed
CN-111943925-B Synthesis method of chromanone compounds 吉林警察学院 2023-04-14 CN claimed
CN-114591208-B Synthetic method of gamma-mercapto-beta-sulfonyl methyl butyrate 成都理工大学 2023-02-10 CN claimed
CN-112624898-B Synthetic method of aryl trifluoroethylene compound 中昊晨光化工研究院有限公司 2022-03-22 CN claimed
US-9650330-B2 Process for the synthesis of aryl sulfones COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2017-05-16 US claimed
US-20160304447-A1 A PROCESS FOR THE SYNTHESIS OF ARYL SULFONES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-10-20 US claimed
WO-2015087352-A1 A PROCESS FOR THE SYNTHESIS OF ARYL SULFONES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-06-18 WO claimed
EP-1506170-B1 METHOD FOR PRODUCING BICALUTAMIDE HELM AG (DE) 2008-02-27 EP claimed
US-7323584-B2 Process for preparing N-(4′-cyano-3′-trifluoromethylphenyl)-3-(4″-fluorophenylsulfonyl)-2-hydroxy-2-methylpropionamide HELM AG (DE) 2008-01-29 US claimed
US-20050033082-A1 Method for producing bicalutamide CF PHARMA GYOGYSZERGYARTO KFT. (HU) 2005-02-10 US claimed
EP-0687671-B1 Method for the preparation of 4-fluorothiophenol BAYER AG (DE) 1997-09-10 EP claimed
US-5659088-A Process for the preparation of 4-fluorothiophenol BAYER AKTIENGESELLSCHAFT (DE) 1997-08-19 US claimed
US-5008369-A Preparation of polysulfones EASTMAN KODAK COMPANY (US) 1991-04-16 US claimed

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-20160304447-A1 A PROCESS FOR THE SYNTHESIS OF ARYL SULFONES ARSA, TPST2, STS CA1 3612/4885CA2 1552/4885PTGS1 679/4885
US-20050033082-A1 Method for producing bicalutamide BRDT, NPEPPS, TET3 CA1 359/4885CA2 1238/4885PTGS1 3881/4885

“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.