SCHEMBL915191

SCHEMBL915191

Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
ALDH1A1 P00352 5/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
HTR1D P28221 2/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPK1 P28482 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.36
CA12 O43570 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36

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
SCHEMBL28285675 0.78 ALDH1A1 (0.51) POLBALDH1A1HTR1DGABRA1GABRB2
SCHEMBL7608 0.78 CA1 (0.52) POLBALDH1A1CA1CA2MMP1
SCHEMBL10750846 0.77 POLB (0.43) POLBALDH1A1CA1CA2HTR1D
SCHEMBL5360634 0.77 CA1 (0.34) CA1CA2MMP1MMP2MMP9
SCHEMBL11139384 0.76 RAPGEF4 (0.39) ALDH1A1CA1CA2MMP1MMP2
SCHEMBL3609619 0.76 GAA (0.40) ALDH1A1CA1CA2MMP1MMP2
SCHEMBL27461978 0.76 NR1I2 (0.47) POLBALDH1A1CA1CA2HTR1D
SCHEMBL9521335 0.74 L3MBTL1 (0.42) ALDH1A1CA1CA2MMP1MMP2
SCHEMBL28784149 0.74 RXRA (0.42) POLBALDH1A1CA1CA2HTR1D
SCHEMBL3440241 0.74 CA1 (0.37) CA1CA2MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11713293-B2 Substituted biaryl sulfonamides and the use thereof NOVOMEDIX, LLC (US) 2023-08-01 US disclosed
US-20220002240-A1 SUBSTITUTED BIARYL SULFONAMIDES AND THE USE THEREOF NOVOMEDIX LLC (US) 2022-01-06 US disclosed
US-20200062700-A1 SUBSTITUTED BIARYL SULFONAMIDES AND THE USE THEREOF NOVOMEDIX LLC (US) 2020-02-27 US disclosed
CN-109574881-A A kind of preparation method of symmetrical diaryldisulfide 沾化大荣化工科技有限公司 2019-04-05 CN disclosed
US-20180327353-A1 SUBSTITUTED BIARYL SULFONAMIDES AND THE USE THEREOF NOVOMEDIX LLC (US) 2018-11-15 US disclosed
US-10040757-B2 Substituted biaryl sulfonamides and the use thereof NOVOMEDIX, LLC (US) 2018-08-07 US disclosed
EP-2925718-B1 SUBSTITUTED BIARYL SULFONAMIDES AND THE USE THEREOF NOVOMEDIX LLC (US) 2018-08-01 EP disclosed
US-20170158627-A1 SUBSTITUTED BIARYL SULFONAMIDES AND THE USE THEREOF NOVOMEDIX, LLC 2017-06-08 US disclosed
US-9604924-B2 Substituted biaryl sulfonamides and the use thereof NOVOMEDIX, LLC (US) 2017-03-28 US disclosed
US-9365471-B2 Substituted phenylsulfur trifluoride and other like fluorinating agents UBE INDUSTRIES, LTD. (JP) 2016-06-14 US disclosed
US-7381846-B2 E.g., Bis(2,6-dimethyl-3-chloro-4-tert-butylphenyl)disulfide and Bis(2,6-dimethyl-3,5-dichloro-4-tert-butylphenyl)disulfide; high yields; can be handled and stored in a safe manner; cost effective IM&T RESEARCH, INC. (US) 2008-06-03 US disclosed
US-20080039660-A1 E.g., Bis(2,6-dimethyl-3-chloro-4-tert-butylphenyl)disulfide and Bis(2,6-dimethyl-3,5-dichloro-4-tert-butylphenyl)disulfide; high yields; can be handled and stored in a safe manner; cost effective IM&T RESEARCH, INC. (US) 2008-02-14 US disclosed
US-20080039660-A1 E.g., Bis(2,6-dimethyl-3-chloro-4-tert-butylphenyl)disulfide and Bis(2,6-dimethyl-3,5-dichloro-4-tert-butylphenyl)disulfide; high yields; can be handled and stored in a safe manner; cost effective IM&T RESEARCH, INC. (US) 2008-02-14 US disclosed
WO-2008014345-A2 SUBSTITUTED PHENYLSULFUR TRIFLUORIDE AND OTHER LIKE FLUORINATING AGENTS IM & T RESEARCH, INC. (US) 2008-01-31 WO disclosed
US-7265247-B1 E.g., 2,6-dimethyl-4-tert-butylphenylsulfur trifluoride and 4-chlorophenylsulfur trifluoride; especially for fluorinating target compounds that have one or more oxygen or oxygen-containing groups that are replaced by the introduction of one or more fluorine atoms. IM&T RESEARCH, INC. (US) 2007-09-04 US disclosed
US-7265247-B1 E.g., 2,6-dimethyl-4-tert-butylphenylsulfur trifluoride and 4-chlorophenylsulfur trifluoride; especially for fluorinating target compounds that have one or more oxygen or oxygen-containing groups that are replaced by the introduction of one or more fluorine atoms. IM&T RESEARCH, INC. (US) 2007-09-04 US disclosed
US-7265247-B1 E.g., 2,6-dimethyl-4-tert-butylphenylsulfur trifluoride and 4-chlorophenylsulfur trifluoride; especially for fluorinating target compounds that have one or more oxygen or oxygen-containing groups that are replaced by the introduction of one or more fluorine atoms. IM&T RESEARCH, INC. (US) 2007-09-04 US disclosed
US-5153227-A Treatment of diabetes and galactosemia complications IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-10-06 US disclosed
US-4218476-A Anti-thrombotic N-alkylthioakylamino benzenesulfonamides AB KABI (SE) 1980-08-19 US disclosed
EP-0000826-A1 Diorthosubstituted benzene derivatives, especially for use in a method of therapy, processes for their preparation, and pharmaceutical compositions containing them Kabi AB (SE) 1979-02-21 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 (7 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-20180327353-A1 SUBSTITUTED BIARYL SULFONAMIDES AND THE USE THEREOF EIF2AK2, TP53, KRAS POLB 986/4885ALDH1A1 2107/4885CA1 2889/4885
US-11713293-B2 Substituted biaryl sulfonamides and the use thereof EIF2AK2, TP53, KRAS POLB 986/4885ALDH1A1 2107/4885CA1 2889/4885
US-20220002240-A1 SUBSTITUTED BIARYL SULFONAMIDES AND THE USE THEREOF EIF2AK2, TP53, KRAS POLB 873/4885ALDH1A1 2041/4885CA1 2941/4885
US-20170158627-A1 SUBSTITUTED BIARYL SULFONAMIDES AND THE USE THEREOF EIF2AK2, TP53, KRAS POLB 986/4885ALDH1A1 2107/4885CA1 2889/4885
US-20200062700-A1 SUBSTITUTED BIARYL SULFONAMIDES AND THE USE THEREOF EIF2AK2, TP53, KRAS POLB 986/4885ALDH1A1 2107/4885CA1 2889/4885
US-10040757-B2 Substituted biaryl sulfonamides and the use thereof EIF2AK2, TP53, KRAS POLB 986/4885ALDH1A1 2107/4885CA1 2889/4885
US-20080039660-A1 E.g., Bis(2,6-dimethyl-3-chloro-4-tert-butylphenyl)disulfide and Bis(2,6-dimethyl-3,5-dichloro-4-tert-butylphenyl)disulfide; high yields; can be handled and stored in a safe manner; cost effective TST, DDT, ESD POLB 2700/4885ALDH1A1 2815/4885CA1 4165/4885

“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.