SCHEMBL822650

SCHEMBL822650

Cc1ccc(-c2ccc(C)cc2S(=O)(=O)OCC(C)(C)C)c(S(=O)(=O)OCC(C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
F2 P00734 2/20 0.37
MAPT P10636 2/20 0.37
XBP1 P17861 1/20 0.37
HTT P42858 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
MEN1 O00255 3/20 0.35
TSHR P16473 2/20 0.35
POLB P06746 2/20 0.35
ELANE P08246 1/20 0.35
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP2C9 P11712 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL13058873 0.90 ALDH1A1 (0.35) KMT2AALDH1A1KDM4EF2MAPT
SCHEMBL2695302 0.89 CA1 (0.36) KMT2AALDH1A1KDM4EF2MAPT
SCHEMBL13598299 0.89 KMT2A (0.32) KMT2AALDH1A1KDM4EF2MAPT
SCHEMBL9914260 0.86 ALDH1A1 (0.47) KMT2AALDH1A1KDM4EF2MAPT
SCHEMBL196909 0.81 TSHR (0.38) KMT2AALDH1A1MEN1TSHRPOLB
SCHEMBL196631 0.81 TSHR (0.38) ALDH1A1KDM4EMAPTHTTTSHR
SCHEMBL822941 0.79 HTT (0.45) KMT2AALDH1A1KDM4EMAPTHTT
SCHEMBL822648 0.78 ALDH1A1 (0.40) KMT2AALDH1A1KDM4EF2MAPT
SCHEMBL2513029 0.77 ALDH1A1 (0.46) KMT2AALDH1A1MEN1GAACYP2C9
SCHEMBL811172 0.77 ALDH1A1 (0.35) KMT2AALDH1A1KDM4EF2MAPT

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 10 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-8236920-B2 Polyarylene and process for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-07 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-20110151355-A1 POLYMER, POLYMER ELECTROLYTE AND USE OF SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-23 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-20090326188-A1 Method for producing polyarylene SUMITOMO CHEMICAL COMPANY, LIMITED 2009-12-31 US disclosed
US-20090036632-A1 Polyarylene and Process for Producing the Same SUMITOMO CHEMICAL COMPANY, LIMITED 2009-02-05 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 (5 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 KMT2A 482/4885ALDH1A1 46/4885KDM4E 724/4885
US-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP1M1 KMT2A 1269/4885ALDH1A1 974/4885KDM4E 1741/4885
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP2M1 KMT2A 2407/4885ALDH1A1 1092/4885KDM4E 2705/4885
US-20090036632-A1 Polyarylene and Process for Producing the Same CYP1A1, CYP1B1, C1R KMT2A 582/4885ALDH1A1 1881/4885KDM4E 2756/4885
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND TYR, PAH, AHR KMT2A 77/4885ALDH1A1 816/4885KDM4E 524/4885

“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.