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