SCHEMBL2719702

SCHEMBL2719702

COc1ccc(S(C)(=O)=O)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 1/20 0.51
CYP19A1 P11511 1/20 0.51
ALPL P05186 1/20 0.49
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP1A1 P04798 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP1B1 Q16678 1/20 0.47
TRPV4 Q9HBA0 1/20 0.46
GFER P55789 1/20 0.46

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
SCHEMBL5960683 0.84 SMN1; SMN2 (0.67) CA12CA1CA2CA7CA9
SCHEMBL25318370 0.83 MAPT (0.43) CA12CA1CA2CA7CA9
SCHEMBL2183386 0.82 PKM (0.55) CA12CA1CA2CA7CA9
SCHEMBL29551296 0.82 PKM (0.55) CA12CA1CA2CA7CA9
SCHEMBL669063 0.82 GAA (0.54) CA12CA1CA2CA7CA9
SCHEMBL13290777 0.82 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL17318079 0.82 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL29482639 0.82 TRPV4 (0.68) CA12CA1CA2CA7CA9
SCHEMBL74997 0.82 TRPV4 (0.68) CA12CA1CA2CA7CA9
SCHEMBL9705968 0.82 GAA (0.54) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140038822-A1 USE OF SUBSTITUTED SPIROCYCLIC SULFONAMIDOCARBOXYLIC ACIDS, CARBOXYLIC ESTERS THEREOF, CARBOXAMIDES THEREOF AND CARBONITRILES THEREOF OR SALTS THEREOF FOR ENHANCEMENT OF STRESS TOLERANCE IN PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-06 US disclosed
EP-2186637-B1 A lithographic printing plate AGFA GRAPHICS NV (BE) 2012-05-02 EP disclosed
US-20110315034-A1 LITHOGRAPHIC PRINTING PLATE AGFA GRAPHICS NV (BE) 2011-12-29 US disclosed
US-20110315034-A1 LITHOGRAPHIC PRINTING PLATE AGFA GRAPHICS NV (BE) 2011-12-29 US disclosed
US-8071795-B2 Hypoxia inducible factor (Hif); for modulating mRNA translation within cells; prevents excessive vascularization EMORY UNIVERSITY (US) 2011-12-06 US disclosed
EP-2186637-A1 A lithographic printing plate Agfa Graphics N.V. (BE) 2010-05-19 EP disclosed
US-20080226622-A1 Hif Inhibitors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-09-18 US disclosed
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors BAESCHLIN DANIEL KASPAR 2008-08-14 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-20080226622-A1 Hif Inhibitors HIF1AN, HIF1A, EGLN3 CA12 589/4885CA1 477/4885CA2 161/4885
US-20140038822-A1 USE OF SUBSTITUTED SPIROCYCLIC SULFONAMIDOCARBOXYLIC ACIDS, CARBOXYLIC ESTERS THEREOF, CARBOXAMIDES THEREOF AND CARBONITRILES THEREOF OR SALTS THEREOF FOR ENHANCEMENT OF STRESS TOLERANCE IN PLANTS STS, SCLY, TST CA12 412/4885CA1 261/4885CA2 110/4885
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors REN, ACE, AGTR1 CA12 4247/4885CA1 2717/4885CA2 724/4885

“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.