SCHEMBL8106699

SCHEMBL8106699

CS(=O)(=O)c1ccccc1S(C)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOX P28300 1/20 0.47
▸ BCAT2 O15382 1/20 0.47
▸ GAA P10253 1/20 0.43
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA4 P22748 2/20 0.42
▸ CA6 P23280 2/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CA5A P35218 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ CA5B Q9Y2D0 1/20 0.42
▸ KEAP1 Q14145 1/20 0.42
▸ DRD2 P14416 1/20 0.41
▸ HSD11B1 P28845 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ ACLY P53396 1/20 0.41

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
SCHEMBL17145370 0.87 ELANE (0.48) LOXBCAT2GAACA1CA2
SCHEMBL6555605 0.87 MYC (0.48) LOXBCAT2DRD2HSD11B1SMN1; SMN2
SCHEMBL30690139 0.87 ALDH1A1 (0.44) LOXBCAT2GAACA1CA2
SCHEMBL391939 0.87 CA2 (0.56) LOXCA1CA2CA4CA6
SCHEMBL1925733 0.87 LOX (0.41) LOXBCAT2GAACA1CA2
SCHEMBL489571 0.87 ALDH1A1 (0.44) LOXBCAT2GAACA1CA2
Hydrochloric Acid SCHEMBL28234811 0.84 MYC (0.47) LOXBCAT2DRD2HSD11B1SMN1; SMN2
SCHEMBL13268425 0.84 L3MBTL1 (0.43) LOXBCAT2GAADRD2HSD11B1
Hydrochloric Acid SCHEMBL5740459 0.84 CA2 (0.54) LOXCA1CA2CA4CA6
Hydrochloric Acid SCHEMBL6754825 0.84 CA2 (0.54) LOXCA1CA2CA4CA6

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11214538-B2 Farnesoid X receptor agonists and uses thereof METACRINE, INC. (US) 2022-01-04 — — US disclosed
US-20210032195-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ELI LILLY AND COMPANY 2021-02-04 — — US disclosed
US-10703712-B2 Farnesoid X receptor agonists and uses thereof METACRINE, INC. (US) 2020-07-07 — — US disclosed
US-10626081-B2 Farnesoid X receptor agonists and uses thereof METACRINE, INC. (US) 2020-04-21 — — US disclosed
US-8658650-B2 Substituted 1,1,3,1-tetraoxidobenzo[D][1,3,2]dithiazoles as MGLUR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction VANDERBILT UNIVERSITY 2014-02-25 — — US disclosed
US-20110319429-A1 SUBSTITUTED 1,1,3,1-TETRAOXIDOBENZO[D][1,3,2]DITHIAZOLES AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY 2011-12-29 — — US disclosed
US-7754347-B2 Organic electroluminescent device FUJIFILM CORPORATION (JP) 2010-07-13 — — US disclosed
US-7754347-B2 Organic electroluminescent device FUJIFILM CORPORATION (JP) 2010-07-13 — — US disclosed
US-20090221589-A1 Use of aminoalcohol derivatives for the treatment of overactive bladder TRIESELMANN THOMAS 2009-09-03 — — US disclosed
US-7524839-B2 Compounds, their use and preparation BIOVITRUM AM (PUBL.) 2009-04-28 — — US disclosed
US-7524839-B2 Compounds, their use and preparation BIOVITRUM AM (PUBL.) 2009-04-28 — — US disclosed
US-7214698-B2 Beta-agonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-05-08 — — US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 — — US disclosed
US-20070072003-A1 Organic electroluminescent device FUJI PHOTO FILM CO., LTD. 2007-03-29 — — US disclosed
US-20070072003-A1 Organic electroluminescent device FUJI PHOTO FILM CO., LTD. 2007-03-29 — — US disclosed
US-6054254-A COATING WITH PHOTORESISTS, EXPOSURE TO LIGHT, DEVELOPMENT KABUSHIKI KAISHA TOSHIBA (JP) 2000-04-25 — — 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 (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-20110319429-A1 SUBSTITUTED 1,1,3,1-TETRAOXIDOBENZO[D][1,3,2]DITHIAZOLES AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION GRM1, GRM4, GRIK4 LOX 3420/4885BCAT2 1754/4885GAA 3984/4885
US-20210032195-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 LOX 816/4885BCAT2 2653/4885GAA 782/4885
US-11214538-B2 Farnesoid X receptor agonists and uses thereof NR1H4, NR1H2, NR1H3 LOX 816/4885BCAT2 2653/4885GAA 782/4885
US-20090221589-A1 Use of aminoalcohol derivatives for the treatment of overactive bladder ADRB2, ADRB1, ADRB3 LOX 1965/4885BCAT2 70/4885GAA 1985/4885
US-10703712-B2 Farnesoid X receptor agonists and uses thereof NR1H4, NR1H2, NR1H3 LOX 816/4885BCAT2 2653/4885GAA 782/4885
US-10626081-B2 Farnesoid X receptor agonists and uses thereof NR1H4, NR1H2, NR1H3 LOX 816/4885BCAT2 2653/4885GAA 782/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 LOX 2729/4885BCAT2 1202/4885GAA 4203/4885

“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.

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