SCHEMBL72728

SCHEMBL72728

Cc1ccc(S(=O)(=O)OC[C@@H]2OC(C)(C)O[C@H]2COS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.41
CYP2D6 P10635 4/20 0.40
CYP1A2 P05177 1/20 0.40
HPGD P15428 1/20 0.40
STAT3 P40763 1/20 0.38
GAA P10253 1/20 0.37
KMT2A Q03164 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
VDR P11473 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
SCHEMBL10338630 1.00 CYP3A4 (0.41) CYP3A4CYP2D6CYP1A2HPGDSTAT3
SCHEMBL13872437 1.00 CYP3A4 (0.41) CYP3A4CYP2D6CYP1A2HPGDSTAT3
SCHEMBL2343860 1.00 CYP3A4 (0.41) CYP3A4CYP2D6CYP1A2HPGDSTAT3
SCHEMBL16488733 0.94 CYP3A4 (0.39) CYP3A4CYP2D6CYP1A2HPGDSTAT3
SCHEMBL2225790 0.94 CYP3A4 (0.39) CYP3A4CYP2D6CYP1A2HPGDSTAT3
SCHEMBL13707926 0.94 CYP3A4 (0.39) CYP3A4CYP2D6CYP1A2HPGDSTAT3
SCHEMBL12517672 0.94 CYP3A4 (0.42) CYP3A4CYP2D6CYP1A2HPGDSTAT3
SCHEMBL7931027 0.93 CYP3A4 (0.40) CYP3A4CYP2D6CYP1A2HPGDSTAT3
SCHEMBL13012190 0.93 CYP3A4 (0.38) CYP3A4CYP2D6CYP1A2HPGDSTAT3
SCHEMBL7931031 0.93 CYP3A4 (0.40) CYP3A4CYP2D6CYP1A2HPGDSTAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0520654-A1 Deep UV light sensitive positive photoresist compositions HOECHST CELANESE CORPORATION (US) 1992-12-30 EP claimed
JP-2091090-A None JP disclosed
US-11377440-B2 Modulators of stimulator of interferon genes (STING) GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-07-05 US disclosed
US-20200291001-A1 MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-09-17 US disclosed
EP-3692034-A1 MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-08-12 EP disclosed
WO-2019069270-A1 MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-04-11 WO disclosed
US-9238631-B2 Radiolabeled amino acids for diagnostic imaging PIRAMAL IMAGING SA (CH) 2016-01-19 US disclosed
US-20150011773-A1 RADIOLABELED AMINO ACIDS FOR DIAGNOSTIC IMAGING PIRAMAL IMAGING SA (CH) 2015-01-08 US disclosed
US-8674142-B2 Naphthenic hydrocarbon additives for diaryl phosphide salt formation PMC ORGANOMETALLIX, INC. (US) 2014-03-18 US disclosed
EP-2705012-A1 RADIOLABELED AMINO ACIDS FOR DIAGNOSTIC IMAGING Piramal Imaging SA (CH) 2014-03-12 EP disclosed
EP-0741128-B1 Sulphuric acid esters of sugar alcohols for the inhibition of the migration and proliferation of smooth muscle cells of the vascular walls HOFFMANN LA ROCHE (CH) 2001-06-20 EP disclosed
US-5830920-A PREVENTION GROWTH OF SMOOTH MUSCLE CELLS HOFFMANN-LA ROCHE INC. (US) 1998-11-03 US disclosed
US-5824451-A CONTAINING RESIN INSOLUBLE IN WATER BUT SOLUBLE IN ALKALI SOLUTION, COMPOUND GENERATING ACID WHEN IRRADIATED, LOW MOLECULAR WEIGHT ACID-DECOMPOSABLE DISSOLUTION INHIBITOR;LITHOGRAPHIC PLATE, INTEGRATED CIRCITS FUJI PHOTO FILM CO., LTD. (JP) 1998-10-20 US disclosed
US-5693452-A FOR USE IN PRODUCTION OF SEMICONDUCTORS FUJI PHOTO FILM CO., LTD. (JP) 1997-12-02 US disclosed
EP-0741128-A2 Sulphuric acid esters of sugar alcohols for the inhibition of the migration and proliferation of smooth muscle cells of the vascular walls F. HOFFMANN-LA ROCHE AG (CH) 1996-11-06 EP disclosed
EP-0709736-A1 Positive chemically amplified resist composition and method for producing compounds used therein FUJI PHOTO FILM CO., LTD. (JP) 1996-05-01 EP disclosed
EP-0691575-A2 Positive photosensitive composition FUJI PHOTO FILM CO., LTD. (JP) 1996-01-10 EP disclosed
EP-0520654-A1 Deep UV light sensitive positive photoresist compositions HOECHST CELANESE CORPORATION (US) 1992-12-30 EP disclosed
JP-H0291090-A ASYMMETRIC BISPHOSPHINE TOYOTAMA KORYO KK 1990-03-30 JP disclosed
US-4268688-A OF OLEFINS MONSANTO COMPANY (US) 1981-05-19 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 (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-20150011773-A1 RADIOLABELED AMINO ACIDS FOR DIAGNOSTIC IMAGING SLC1A5, SLC6A19, BCAT2 CYP3A4 4556/4885CYP2D6 4180/4885CYP1A2 4770/4885
US-11377440-B2 Modulators of stimulator of interferon genes (STING) STING1, IRF3, IFNAR1 CYP3A4 3948/4885CYP2D6 3593/4885CYP1A2 2745/4885
US-20200291001-A1 MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) STING1, IRF3, IFNAR1 CYP3A4 3948/4885CYP2D6 3593/4885CYP1A2 2745/4885

“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.