SCHEMBL2697403

SCHEMBL2697403

Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Cc5cc(C)cc(S(=O)(=O)OCC(C)(C)C)c5)cc4)cc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
BCHE P06276 3/20 0.36
ACHE P22303 3/20 0.36
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
KCNH2 Q12809 1/20 0.35
NR3C1 P04150 1/20 0.34
RAPGEF4 Q8WZA2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL14010614 0.89 CA1 (0.37) SMN1; SMN2GAAMEN1KMT2ABCHE
SCHEMBL2695193 0.85 HTT (0.45) HTTSMN1; SMN2TDP1L3MBTL1GAA
SCHEMBL822941 0.84 HTT (0.45) HTTSMN1; SMN2TDP1L3MBTL1GAA
SCHEMBL2695196 0.83 HTT (0.42) HTTSMN1; SMN2TDP1L3MBTL1GAA
SCHEMBL822794 0.81 HTT (0.43) HTTSMN1; SMN2TDP1L3MBTL1GAA
SCHEMBL2696779 0.81 HTT (0.41) HTTSMN1; SMN2TDP1L3MBTL1GAA
SCHEMBL822854 0.80 HTT (0.69) HTTSMN1; SMN2TDP1L3MBTL1GAA
SCHEMBL13321724 0.80 HTT (0.69) HTTSMN1; SMN2TDP1L3MBTL1GAA
SCHEMBL822953 0.79 HTT (0.41) HTTSMN1; SMN2TDP1L3MBTL1GAA
SCHEMBL13598293 0.77 HTT (0.39) HTTSMN1; SMN2TDP1L3MBTL1MEN1

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 6 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
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
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED 2010-11-18 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-20080287646-A1 Polyarylene and Method for Producing the Same SUMITOMO CHEMICAL COMPANY, LIMITED 2008-11-20 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 (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 HTT 1789/4885SMN1; SMN2 3838/4885TDP1 3931/4885
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP2M1 HTT 2006/4885SMN1; SMN2 4123/4885TDP1 4012/4885
US-20080287646-A1 Polyarylene and Method for Producing the Same CYP1A1, C1R, CBR1 HTT 1126/4885SMN1; SMN2 4161/4885TDP1 3155/4885
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND TYR, PAH, AHR HTT 1087/4885SMN1; SMN2 2455/4885TDP1 4605/4885

“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.