SCHEMBL196957

SCHEMBL196957

CCOS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)OCC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
PARL Q9H300 1/20 0.42
CA2 P00918 5/20 0.41
CA12 O43570 4/20 0.41
CA9 Q16790 4/20 0.41
CA1 P00915 4/20 0.40
ALDH1A1 P00352 3/20 0.40
CA14 Q9ULX7 2/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
CA7 P43166 1/20 0.39
UCHL1 P09936 1/20 0.39
GAA P10253 3/20 0.39
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL11888408 0.92 PARL (0.53) SMN1; SMN2PARLCA2CA12CA9
SCHEMBL11297974 0.87 UCHL1 (0.39) SMN1; SMN2LMNAHTTPARLCA2
SCHEMBL76249 0.84 GAA (0.50) SMN1; SMN2CA2CA12CA9CA1
SCHEMBL28996978 0.84 ENPP2 (0.46) CA2CA12CA9CA1CA7
SCHEMBL552333 0.84 GAA (0.57) SMN1; SMN2LMNACA2CA12CA9
Biphenyl SCHEMBL27772108 0.83 VDR (0.45) SMN1; SMN2LMNAHTTPARLCA2
Ammonia Solution, Strong SCHEMBL3808344 0.83 GAA (0.48) SMN1; SMN2CA2CA12CA9CA1
SCHEMBL2267244 0.83 CA1 (0.45) HTTCA2CA1ALDH1A1MAPK1
SCHEMBL196945 0.83 ALDH1A1 (0.48) SMN1; SMN2CA2CA12CA9CA1
SCHEMBL6534315 0.83 PLCG1 (0.48) SMN1; SMN2LMNAHTTCA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2390241-B1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2014-10-01 EP disclosed
US-8598349-B2 Method for manufacturing conjugated aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-12-03 US disclosed
US-20130131013-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY CERULEAN PHARMA INC. (US) 2013-05-23 US disclosed
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-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
EP-2390241-A1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND Sumitomo Chemical Company, Limited (JP) 2011-11-30 EP disclosed
US-20110275859-A1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED 2011-11-10 US disclosed
US-20110256790-A1 THERMAL INSULATION CONTAINING SUPPLEMENTAL INFRARED RADIATION ABSORBING MATERIAL SAINT-GOBAIN ISOVER (FR) 2011-10-20 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-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED 2010-11-18 US disclosed
EP-2233459-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-09-29 EP 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
EP-2192124-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND WITH THE TRANSITION METAL COMPLEX Sumitomo Chemical Company, Limited (JP) 2010-06-02 EP disclosed
EP-2172470-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX Sumitomo Chemical Company, Limited (JP) 2010-04-07 EP disclosed
US-5438142-A Tris(hydroxyphenyl)ethanes having ketone, bromine, sulfonate, or amine groups as condensation polymer modifiers; photostabilizers, flame retardants, discoloration inhibitors, antisoilants, antioxidants HOECHST CELANESE CORP. (US) 1995-08-01 US disclosed
EP-0625971-A4 UV LIGHT STABILIZING, ANTIOXIDANT AND COLORANT COMPOUNDS. 1995-01-04 EP disclosed
EP-0625971-A1 UV LIGHT STABILIZING, ANTIOXIDANT AND COLORANT COMPOUNDS HOECHST CELANESE CORPORATION (US) 1994-11-30 EP disclosed
WO-1993015063-A1 UV LIGHT STABILIZING, ANTIOXIDANT AND COLORANT COMPOUNDS HOECHST CELANESE CORPORATION (US) 1993-08-05 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 (4 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 SMN1; SMN2 2997/4885LMNA 1269/4885HTT 1768/4885
US-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP1M1 SMN1; SMN2 3838/4885LMNA 2664/4885HTT 1789/4885
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP2M1 SMN1; SMN2 4123/4885LMNA 3345/4885HTT 2006/4885
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND TYR, PAH, AHR SMN1; SMN2 2455/4885LMNA 2021/4885HTT 1087/4885

“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.