SCHEMBL196630

SCHEMBL196630

CC(C)N(C(C)C)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
VCAM1 P19320 1/20 0.49
S1PR1 P21453 1/20 0.39
ALDH1A1 P00352 5/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35

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
SCHEMBL2332262 0.78 SMN1; SMN2 (0.59) SMN1; SMN2VCAM1ALDH1A1MAPTKDM4E
SCHEMBL11685020 0.77 ALDH1A1 (0.50) SMN1; SMN2VCAM1S1PR1ALDH1A1MAPT
SCHEMBL198457 0.74 SMN1; SMN2 (0.42) SMN1; SMN2VCAM1ALDH1A1MAPTKDM4E
SCHEMBL199517 0.74 SMN1; SMN2 (0.42) SMN1; SMN2VCAM1ALDH1A1MAPTKDM4E
SCHEMBL13797492 0.73 POLB (0.39) S1PR1ALDH1A1MAPTPSEN1PSEN2
SCHEMBL197477 0.72 ALDH1A1 (0.54) SMN1; SMN2VCAM1ALDH1A1MAPTKDM4E
SCHEMBL7921230 0.71 ITGA4 (0.42) S1PR1ALDH1A1MAPTITGB1ITGA4
SCHEMBL799304 0.71 PGR (0.39) SMN1; SMN2VCAM1ALDH1A1MAPTPSEN1
SCHEMBL7971237 0.70 ADAMTS4 (0.58) S1PR1ALDH1A1MAPTITGB1ITGA4
SCHEMBL1272284 0.69 PTGS2 (0.44) ALDH1A1LMNATSHRACLY

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-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
CN-101341183-B Polyarylene and process for producing the same SUMITOMO CO LTD 2012-06-20 CN disclosed
EP-1935916-B1 POLYARYLENE AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL CO (JP) 2012-05-23 EP 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-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
CN-101945839-A Process for producing conjugated aromatic compound SUMITOMO CHEMICAL CO 2011-01-12 CN 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
CN-101827854-A Transition metal complex and method for producing conjugated aromatic compound using same SUMITOMO CHEMICAL CO 2010-09-08 CN 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
CN-101772508-A Bipyridine compound, transition metal complex, and method for production of conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL CO 2010-07-07 CN 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
CN-101341183-A Polyarylene and process for producing the same SUMITOMO CHEMICAL CO (JP) 2009-01-07 CN disclosed
US-20080287646-A1 Polyarylene and Method for Producing the Same SUMITOMO CHEMICAL COMPANY, LIMITED 2008-11-20 US disclosed
EP-1935916-A1 POLYARYLENE AND PROCESS FOR PRODUCING THE SAME Sumitomo Chemical Company, Limited (JP) 2008-06-25 EP 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-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP1M1 SMN1; SMN2 3838/4885VCAM1 1694/4885S1PR1 4061/4885
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 4123/4885VCAM1 2305/4885S1PR1 3719/4885
US-20080287646-A1 Polyarylene and Method for Producing the Same CYP1A1, C1R, CBR1 SMN1; SMN2 4161/4885VCAM1 3814/4885S1PR1 792/4885
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND TYR, PAH, AHR SMN1; SMN2 2455/4885VCAM1 2808/4885S1PR1 3510/4885

“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.