SCHEMBL398570

SCHEMBL398570

CS(=O)(=O)c1ccc(CCl)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.50
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
PTGS2 P35354 7/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
KCNJ1 P48048 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL9505755 0.88 HTT (0.44) ENPP2PTGS2
SCHEMBL7087936 0.85 PTGS2 (0.44) PTGS2PTGDR2CYP3A4
SCHEMBL20300446 0.82 CA2 (0.42) ENPP2CA1CA2PTGS2
SCHEMBL6581495 0.82 ENPP2 (0.46) ENPP2CA1CA2PTGS2KCNJ1
SCHEMBL13231429 0.80 ENPP2 (0.54) ENPP2CA1CA2PTGS2
SCHEMBL19258515 0.80 CA2 (0.43) CA1CA2
SCHEMBL3539406 0.80 CYP3A4 (0.52) CA1CA2CYP3A4CYP2C9KCNH2
SCHEMBL710799 0.79 PSIP1 (0.63) CA1CA2CYP3A4CYP2C9
SCHEMBL2376239 0.79 ENPP2 (0.72) ENPP2PTGS2
SCHEMBL20323503 0.79 DRD1 (0.42) CA1CA2PTGS2PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-207348145-U A kind of Emergency water supply device for the chloro- 4- methylsulfonyltoluenes reaction kettles of 2- 倍合德华强(连云港)医药化工科技有限公司 2018-05-11 CN claimed
CN-104086466-B The preparation method of the thiamphenicol benzoic acid of 2 chlorine 4 倍合德华强(连云港)医药化工科技有限公司 2017-11-21 CN claimed
CN-105017101-B Synthesizing method of 2-chloro-4-(methylsulfonyl)benzoic acid 浙江大学 2017-03-22 CN claimed
CN-105017101-A Synthesizing method of 2-chloro-4-(methylsulfonyl)benzoic acid UNIV ZHEJIANG 2015-11-04 CN claimed
CN-104086466-A Preparation method of 2-chloro-4-methylsulfonylbenzoic acid BEI HE DE HUA QIANG LIANYUNGANG PHARMACEUTICAL & CHEMICAL TECHNOLOGY CO LTD 2014-10-08 CN claimed
CN-102627591-B Preparation method of 2-chloro-4-methylsulfonylbenzoic acid SUZHOU LUOSEN AUX IES CO LTD 2013-11-06 CN claimed
US-7355048-B2 Process for preparing 1-(6-methylpyridin-3-yl)-2-[4- (methylsulphonyl)phenyl]ethanone LONZA LTD. (CH) 2008-04-08 US claimed
CN-1281589-C Preparation of 1-(6-methylpyridin-3-yl)-2-(4-methylsulfonyl-phenyl)ethanon LONZA AG (CH) 2006-10-25 CN claimed
US-20050159458-A1 Process for preparing 1-( 6-methylpyridin-3-yl)-2-[4- (methylsulfonyl)phenyl]ethanone KUO DAVID (US) 2005-07-21 US claimed
CN-1583723-A Preparation of 1-(6-methylpyridin-3-yl)-2-(4-methylsulfonyl-phenyl)ethanon LONZA AG (CH) 2005-02-23 CN claimed
EP-1394149-B1 Process for the preparation of 1-(6-Methylpyridin-3-yl)-2-[4-(methylsulfonyl)-phenyl]ethanon LONZA AG (CH) 2005-01-19 EP claimed
US-20250170117-A1 MODULATORS OF ACKR3 AND USES THEREOF INTERAX BIOTECH AG (CH) 2025-05-29 US disclosed
US-20250099448-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-03-27 US disclosed
CN-119431200-A Synthesis method of etoricoxib intermediate 南京杰运医药科技有限公司 2025-02-14 CN disclosed
EP-4486739-A1 MODULATORS OF ACKR3 AND USES THEREOF InterAx Biotech AG (CH) 2025-01-08 EP disclosed
EP-0234045-A2 A pyrazole oxime derivative and its production and use NIHON NOHYAKU CO., LTD. (JP) 1987-09-02 EP disclosed
US-4536599-A HYDROLYZING THE NITRILE DERIVATIVE TO THE AMIDE USING AN ORGANIC QUATERNARY AMINE SALT CATALYST; EFFICIENCY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-08-20 US disclosed
EP-0093484-A2 Antibacterial monic acid derivatives BEECHAM GROUP PLC (GB) 1983-11-09 EP disclosed
EP-0008532-B1 SYNTHESIS OF AMINES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-07-20 EP disclosed
EP-0008532-A1 Synthesis of amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-03-05 EP 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-20250170117-A1 MODULATORS OF ACKR3 AND USES THEREOF ACKR3, PROKR2, PROKR1 ENPP2 165/4885CA1 3356/4885CA2 2281/4885
US-20250099448-A1 HETEROCYCLIC COMPOUNDS OPRM1, CYP1A1, CYP3A4 ENPP2 3934/4885CA1 3030/4885CA2 4628/4885
US-20050159458-A1 Process for preparing 1-( 6-methylpyridin-3-yl)-2-[4- (methylsulfonyl)phenyl]ethanone SKP1, AZI2, EEF2K ENPP2 2967/4885CA1 4716/4885CA2 4578/4885

“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.