SCHEMBL822933

SCHEMBL822933

O=S(=O)(c1ccc(Cl)cc1)c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(S(=O)(=O)c5ccc(Cl)cc5)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
CYP3A4 P08684 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD11B1 P28845 5/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PGR P06401 2/20 0.42
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SOS1 Q07889 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MMP1 P03956 2/20 0.40
ENPP3 O14638 1/20 0.40
ENPP1 P22413 1/20 0.40
ENPP2 Q13822 1/20 0.40
PTPN1 P18031 1/20 0.38
PTGES2 Q9H7Z7 1/20 0.38

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
SCHEMBL14599492 0.91 ENPP1 (0.45) ALDH1A1CYP3A4MAPK1HSD11B1MEN1
SCHEMBL13082191 0.87 HSD11B1 (0.42) ALDH1A1CYP3A4MAPK1HSD11B1PGR
SCHEMBL14030818 0.85 HPGD (0.55) ALDH1A1HSD11B1SMN1; SMN2HPGDENPP3
SCHEMBL12770267 0.85 HTT (0.46) ALDH1A1HSD11B1KMT2AHTTSMN1; SMN2
SCHEMBL14288322 0.84 ESR1 (0.56) HSD11B1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL822939 0.84 HTT (0.61) ALDH1A1CYP3A4HSD11B1MEN1KMT2A
SCHEMBL14365486 0.84 HTT (0.61) ALDH1A1CYP3A4HSD11B1MEN1KMT2A
SCHEMBL809432 0.83 ALDH1A1 (0.73) ALDH1A1CYP3A4MAPK1MEN1KMT2A
SCHEMBL10396881 0.83 ALDH1A1 (0.73) ALDH1A1CYP3A4MAPK1MEN1KMT2A
SCHEMBL4374736 0.83 ALDH1A1 (0.73) ALDH1A1CYP3A4MAPK1MEN1KMT2A

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-8293905-B2 Bipyridine compound, transition metal complex, and method for production of conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-23 US disclosed
US-20120251919-A1 POLYARYLENE-BASED COPOLYMER AND USES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 US disclosed
US-8273499-B2 Membrane-electrode assembly for solid polymer electrolyte fuel cell HONDA MOTOR CO., LTD. (JP) 2012-09-25 US disclosed
US-8236920-B2 Polyarylene and process for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-07 US disclosed
US-20120052412-A1 POLYARYLENE BLOCK COPOLYMER HAVING SULFONIC ACID GROUP AND USE THEREOF HONDA MOTOR CO., LTD. (JP) 2012-03-01 US disclosed
US-8088883-B2 Transition metal complex and process for producing conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-20110275859-A1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED 2011-11-10 US disclosed
US-20110275780-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMCIAL COMPANY LIMITED 2011-11-10 US disclosed
US-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED 2011-02-24 US disclosed
US-7893303-B2 Polyarylene, process for producing the same, solid polyelectrolyte, and proton-conductive film JSR CORPORATION (JP) 2011-02-22 US disclosed
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-22 US disclosed
US-20100062311-A1 MEMBRANE-ELECTRODE ASSEMBLY FOR SOLID POLYMER ELECTROLYTE FUEL CELL HONDA MOTOR CO., LTD. (JP) 2010-03-11 US disclosed
US-20090326188-A1 Method for producing polyarylene SUMITOMO CHEMICAL COMPANY, LIMITED 2009-12-31 US disclosed
US-20090040690-A1 Electrochemical capacitor JSR CORPORATION (JP) 2009-02-12 US disclosed
US-20090036632-A1 Polyarylene and Process for Producing the Same SUMITOMO CHEMICAL COMPANY, LIMITED 2009-02-05 US disclosed
US-20080287646-A1 Polyarylene and Method for Producing the Same SUMITOMO CHEMICAL COMPANY, LIMITED 2008-11-20 US disclosed
US-7396607-B2 Manufacturing process for membrane-electrode assemblies JSR CORPORATION (JP) 2008-07-08 US disclosed
US-7348089-B2 Membrane-electrode assembly for direct methanol type fuel cell and proton conductive membrane JSR CORPORATION (JP) 2008-03-25 US disclosed
US-20080015389-A1 Polyarylene, Process For Producing The Same, Solid Polyelectrolyte, And Proton-Conductive Film JSR CORPORATION (JP) 2008-01-17 US disclosed
US-7163988-B2 Aromatic sulfonic acid ester derivative, polyarylene, polyarylene having sulfonic acid group and process for producing the same, and polymer solid electrolyte and proton-conductive membrane JSR CORPORATION (JP) 2007-01-16 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 (6 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-20110275859-A1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND C9, H1-10, CYP1A1 ALDH1A1 46/4885CYP3A4 497/4885MAPK1 1740/4885
US-20080015389-A1 Polyarylene, Process For Producing The Same, Solid Polyelectrolyte, And Proton-Conductive Film PARG, PUF60, PARN ALDH1A1 3441/4885CYP3A4 3251/4885MAPK1 1651/4885
US-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP1M1 ALDH1A1 974/4885CYP3A4 61/4885MAPK1 814/4885
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP2M1 ALDH1A1 1092/4885CYP3A4 135/4885MAPK1 744/4885
US-20090036632-A1 Polyarylene and Process for Producing the Same CYP1A1, CYP1B1, C1R ALDH1A1 1881/4885CYP3A4 315/4885MAPK1 1418/4885
US-20080287646-A1 Polyarylene and Method for Producing the Same CYP1A1, C1R, CBR1 ALDH1A1 602/4885CYP3A4 306/4885MAPK1 2503/4885

“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.