SCHEMBL586329

SCHEMBL586329

O=S(=O)(c1ccccc1)c1ccc(F)c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.58
HTR2A P28223 4/20 0.53
HTR2C P28335 3/20 0.53
KCNH2 Q12809 2/20 0.53
ALDH1A1 P00352 2/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
VCAM1 P19320 1/20 0.48
HTR2B P41595 1/20 0.46
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA13 Q8N1Q1 1/20 0.44
ALDH3A1 P30838 1/20 0.44
PNMT P11086 1/20 0.44
HSD11B1 P28845 1/20 0.43

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
SCHEMBL31456176 0.91 VCAM1 (0.55) HTR6HTR2AHTR2CKCNH2ALDH1A1
SCHEMBL30838118 0.89 VCAM1 (0.57) HTR6ALDH1A1POLBMAPTVCAM1
SCHEMBL4318681 0.89 VCAM1 (0.57) HTR6ALDH1A1POLBMAPTVCAM1
SCHEMBL4189942 0.85 HTR2C (0.50) HTR6HTR2AHTR2CKCNH2ALDH1A1
SCHEMBL4205906 0.84 HTR2C (0.54) HTR6HTR2AHTR2CKCNH2VCAM1
SCHEMBL14932732 0.82 ALDH1A1 (0.64) HTR6HTR2AHTR2CKCNH2ALDH1A1
SCHEMBL4199324 0.82 HTR6 (0.52) HTR6HTR2AHTR2CKCNH2ALDH1A1
SCHEMBL1993571 0.82 HTR2A (0.53) HTR6HTR2AHTR2CKCNH2ALDH1A1
SCHEMBL10971647 0.82 ALDH1A1 (0.59) HTR6HTR2AHTR2CKCNH2ALDH1A1
SCHEMBL23432028 0.82 HTR6 (0.64) HTR6ALDH1A1MAPTVCAM1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650330-B2 Process for the synthesis of aryl sulfones COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2017-05-16 US claimed
US-20160304447-A1 A PROCESS FOR THE SYNTHESIS OF ARYL SULFONES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-10-20 US claimed
US-9650330-B2 Process for the synthesis of aryl sulfones COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2017-05-16 US disclosed
US-9650330-B2 Process for the synthesis of aryl sulfones COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2017-05-16 US disclosed
US-9650330-B2 Process for the synthesis of aryl sulfones COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2017-05-16 US disclosed
US-20160304447-A1 A PROCESS FOR THE SYNTHESIS OF ARYL SULFONES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-10-20 US disclosed
US-20160304447-A1 A PROCESS FOR THE SYNTHESIS OF ARYL SULFONES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-10-20 US disclosed
US-20160304447-A1 A PROCESS FOR THE SYNTHESIS OF ARYL SULFONES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-10-20 US disclosed
WO-2015087352-A1 A PROCESS FOR THE SYNTHESIS OF ARYL SULFONES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-06-18 WO disclosed
WO-2015087352-A1 A PROCESS FOR THE SYNTHESIS OF ARYL SULFONES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-06-18 WO disclosed
CN-101326161-B Novel compounds ASTRAZENECA AB 2013-04-17 CN disclosed
EP-2305640-A2 Substituted diphenyl-ethers, -amines, -sulfides and -methanes for the treatment of respiratory diseases AstraZeneca AB (SE) 2011-04-06 EP disclosed
US-20090192163-A1 Novel Compounds ASTRAZENECA AB (SE) 2009-07-30 US disclosed
CN-101374804-A Substituted diphenylethers, -amines, -sulfides and -methanes for the treatment of respiratory disease ASTRAZENECA AB (SE) 2009-02-25 CN disclosed
CN-101326161-A Novel compounds ASTRAZENECA AB (SE) 2008-12-17 CN disclosed
US-20080293775-A1 Substituted Diphenylethers, -Amines, -Sulfides and -Methanes for the Treatment of Respiratory Disease ASTRAZENECA AB (SE) 2008-11-27 US disclosed
EP-1963259-A2 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE AstraZeneca AB (SE) 2008-09-03 EP disclosed
EP-1937632-A1 NOVEL COMPOUNDS Astra Zeneca AB (SE) 2008-07-02 EP disclosed
WO-2007068894-A2 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2007-06-21 WO disclosed
WO-2007039736-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2007-04-12 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-20080293775-A1 Substituted Diphenylethers, -Amines, -Sulfides and -Methanes for the Treatment of Respiratory Disease PNMT, SQOR, SMS HTR6 242/4885HTR2A 461/4885HTR2C 142/4885
US-20160304447-A1 A PROCESS FOR THE SYNTHESIS OF ARYL SULFONES ARSA, TPST2, STS HTR6 1035/4885HTR2A 1044/4885HTR2C 1118/4885
US-20090192163-A1 Novel Compounds PAH, PC, DDC HTR6 253/4885HTR2A 441/4885HTR2C 396/4885

“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.