SCHEMBL2176311

SCHEMBL2176311

Cc1ccc(S(=O)(=O)OCC(C)COS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.45
STAT3 P40763 1/20 0.43
ALDH1A1 P00352 5/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GBA1 P04062 1/20 0.42
CA2 P00918 4/20 0.42
CA9 Q16790 4/20 0.42
CA1 P00915 3/20 0.42
CA12 O43570 2/20 0.42
CA7 P43166 2/20 0.42
CA3 P07451 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
VDR P11473 1/20 0.41
LMNA P02545 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
SCHEMBL6431507 0.91 CA2 (0.41) GAASTAT3ALDH1A1CYP3A4CYP2C9
SCHEMBL4202231 0.91 CA2 (0.41) GAASTAT3ALDH1A1CYP3A4CYP2C9
SCHEMBL4202226 0.91 CA2 (0.41) GAASTAT3ALDH1A1CYP3A4CYP2C9
SCHEMBL13104829 0.90 STAT3 (0.43) GAASTAT3ALDH1A1CYP3A4CYP2C9
SCHEMBL9756774 0.90 STAT3 (0.43) GAASTAT3ALDH1A1CYP3A4CYP2C9
SCHEMBL4383356 0.90 CA2 (0.43) GAASTAT3ALDH1A1CYP3A4CYP2C9
SCHEMBL4383361 0.90 CA2 (0.43) GAASTAT3ALDH1A1CYP3A4CYP2C9
SCHEMBL9756838 0.90 STAT3 (0.43) GAASTAT3ALDH1A1CYP3A4CYP2C9
SCHEMBL15607874 0.90 GBA1 (0.41) GAASTAT3ALDH1A1CYP3A4CYP2C9
SCHEMBL8105088 0.90 STAT3 (0.40) GAASTAT3ALDH1A1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228482-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING CANCER HOTSPOT THERAPEUTICS, INC. 2024-07-11 US disclosed
US-20170137550-A1 BIS-BIPHENYLPHENOXY CATALYSTS FOR POLYMERIZATION OF LOW MOLECULAR WEIGHT ETHYLENE-BASED POLYMERS DOW GLOBAL TECHNOLOGIES LLC 2017-05-18 US disclosed
WO-2016014749-A1 BIS-BIPHENYLPHENOXY CATALYSTS FOR POLYMERIZATION OF LOW MOLECULAR WEIGHT ETHYLENE-BASED POLYMERS DOW GLOBAL TECHNOLOGIES LLC (US) 2016-01-28 WO disclosed
US-9240614-B2 Nonaqueous electrolyte solution and electrochemical element using same UBE INDUSTRIES, LTD. (JP) 2016-01-19 US disclosed
EP-2579377-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES (JP) 2014-09-03 EP disclosed
EP-2579377-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME Ube Industries, Ltd. (JP) 2013-04-10 EP disclosed
US-20130071733-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES, LTD. (JP) 2013-03-21 US disclosed
US-7973047-B2 Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-07-05 US disclosed
US-20100222338-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. 2010-09-02 US disclosed
US-7745484-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2010-06-29 US disclosed
EP-1971598-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2008-09-24 EP disclosed
US-20070185144-A1 Beta-secretase modulators and methods of use AMGEN INC. (US) 2007-08-09 US disclosed
WO-2007061670-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2007-05-31 WO 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-20100222338-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP GAA 37/4885STAT3 4701/4885ALDH1A1 2461/4885
US-20240228482-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING CANCER TP53, CASP3, BAX GAA 617/4885STAT3 753/4885ALDH1A1 338/4885
US-20070185144-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP GAA 37/4885STAT3 4701/4885ALDH1A1 2461/4885

“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.