SCHEMBL806536

SCHEMBL806536

COc1ccc(S(C)(=O)=O)cc1F

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.67
SMN1; SMN2 Q16637 1/20 0.65
KMT2A Q03164 1/20 0.54
PTGS1 P23219 4/20 0.53
MEP1B Q16820 1/20 0.52
POLB P06746 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL8055958 0.86 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL24010101 0.85 PTGS2 (0.55) PTGS2SMN1; SMN2KMT2APTGS1MEP1B
SCHEMBL13211247 0.85 SMN1; SMN2 (0.59) PTGS2SMN1; SMN2POLBTSHRMAPK1
SCHEMBL29015043 0.85 PTGS2 (0.54) PTGS2SMN1; SMN2KMT2APTGS1MEP1B
SCHEMBL28552857 0.83 PTGS2 (0.53) PTGS2KMT2APTGS1MEP1BPOLB
SCHEMBL1093129 0.83 PTGS2 (0.53) PTGS2KMT2APTGS1MEP1BPOLB
SCHEMBL2121926 0.83 PTGS2 (0.68) PTGS2KMT2APTGS1
SCHEMBL647351 0.83 MEP1B (0.55) PTGS2SMN1; SMN2KMT2APTGS1MEP1B
SCHEMBL8055955 0.82 PTGS2 (0.63) PTGS2SMN1; SMN2PTGS1
SCHEMBL862980 0.82 POLB (0.73) PTGS2SMN1; SMN2PTGS1POLBTSHR

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-20170369486-A1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTONIC ACETYLCHOLINE RECEPTORS AXOVANT SCIENCES GMBH (CH) 2017-12-28 US disclosed
WO-2013066869-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS ARRAY BIOPHARMA INC. (US) 2013-05-10 WO disclosed
EP-2081905-B1 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2012-09-12 EP disclosed
US-8188098-B2 GPR119 receptor agonists HOFFMANN-LA ROCHE INC. (US) 2012-05-29 US disclosed
WO-2012037393-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS ARRAY BIOPHARMA INC. (US) 2012-03-22 WO disclosed
EP-2283019-A1 GPR119 RECEPTOR AGONISTS F. Hoffmann-La Roche AG (CH) 2011-02-16 EP disclosed
WO-2010048149-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-04-29 WO disclosed
US-7687492-B2 1,2,4-Oxadiazole derivatives as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2010-03-30 US disclosed
WO-2009141238-A1 GPR119 RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-11-26 WO disclosed
US-20090286812-A1 GPR119 Receptor Agonists ERICKSON SHAWN DAVID 2009-11-19 US disclosed
EP-1945608-A1 SYNTHESIS OF METHYLSULPHONYL BENZENE COMPOUNDS Peakdale Molecular Limited (GB) 2008-07-23 EP disclosed
US-20080021009-A1 1,2,4-Oxadiazole Derivatives as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME LLC 2008-01-24 US disclosed
WO-2007054668-A1 SYNTHESIS OF METHYLSULPHONYL BENZENE COMPOUNDS PEAKDALE MOLECULAR LIMITED (GB) 2007-05-18 WO disclosed
WO-2007054668-A1 SYNTHESIS OF METHYLSULPHONYL BENZENE COMPOUNDS PEAKDALE MOLECULAR LIMITED (GB) 2007-05-18 WO disclosed
EP-1756074-A1 1,2,4-OXADIAZOLE DERIVATIVES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2007-02-28 EP disclosed
WO-2005108382-A1 1,2,4-OXADIAZOLE DERIVATIVES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2005-11-17 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-20090286812-A1 GPR119 Receptor Agonists GPR119, GPR27, GPR139 PTGS2 1191/4885SMN1; SMN2 2213/4885KMT2A 3444/4885
US-20080021009-A1 1,2,4-Oxadiazole Derivatives as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 PTGS2 759/4885SMN1; SMN2 4014/4885KMT2A 3949/4885
US-20170369486-A1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTONIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA6, CHRNA5 PTGS2 4135/4885SMN1; SMN2 404/4885KMT2A 2024/4885

“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.