SCHEMBL161234

SCHEMBL161234

O=S(O)c1ccc(F)cc1.[NaH]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
ORAI1 Q96D31 1/20 0.35
ORAI2 Q96SN7 1/20 0.35
ORAI3 Q9BRQ5 1/20 0.35
TRPV6 Q9H1D0 1/20 0.35
BCL2L1 Q07817 1/20 0.34
BAD Q92934 1/20 0.34
PTGS1 P23219 1/20 0.34
KCNN4 O15554 1/20 0.33
PTPN1 P18031 1/20 0.33
ALDH1A1 P00352 1/20 0.33
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

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
SCHEMBL4614322 0.97 CES2 (0.42) CES2CES1CA1CA2ORAI1
Ammonia Solution, Strong SCHEMBL4615643 0.95 CES2 (0.40) CES2CES1CA1CA2ORAI1
SCHEMBL11323370 0.95 CES2 (0.40) CES2CES1CA1CA2ORAI1
SCHEMBL3162019 0.87 HSD11B1 (0.48) PTGS1HSD11B1
SCHEMBL11859127 0.86 CA1 (0.33) CA1CA2
SCHEMBL9153089 0.83 CA1 (0.36) CA1CA2ALDH1A1
SCHEMBL5354761 0.78 NR4A2 (0.58) CA1CA2CA7CA9MMP1
SCHEMBL8334157 0.78 MAPK14 (0.53) PTGS1
SCHEMBL4070877 0.77 PGR (0.42) CA2BCL2L1BADPTGS1ALDH1A1
SCHEMBL10606718 0.75 ESR1 (0.35)

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 206 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-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-117926289-A Method for electrochemically synthesizing N-sulfoamidine derivatives under mild condition 湘潭大学 2024-04-26 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-109796380-A 2-allyl-3-sulfonyl-3-butenoate compound and preparation method thereof 南京工业大学 2019-05-24 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
JP-8003130-A None JP disclosed
US-12336981-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2025-06-24 US disclosed
CN-116356354-B Preparation method of 2-aryl-3-sulfonyl substituted tetrahydropyrrole and piperidine compounds 遵义医科大学 2025-06-13 CN disclosed
EP-0478874-A2 Novel 2-substituted alkyl-3-carboxy carbapenems as antibiotics and a method of producing them AMERICAN CYANAMID COMPANY (US) 1992-04-08 EP disclosed
US-5068232-A Bactericides AMERICAN CYANAMID COMPANY (US) 1991-11-26 US disclosed
US-5008369-A Preparation of polysulfones EASTMAN KODAK COMPANY (US) 1991-04-16 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 (3 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-12336981-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NNT CES2 618/4885CES1 649/4885CA1 3301/4885
US-20160304447-A1 A PROCESS FOR THE SYNTHESIS OF ARYL SULFONES ARSA, TPST2, STS CES2 1421/4885CES1 1735/4885CA1 3612/4885
US-20050033082-A1 Method for producing bicalutamide BRDT, NPEPPS, TET3 CES2 175/4885CES1 1507/4885CA1 359/4885

“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.