SCHEMBL3040078

SCHEMBL3040078

COc1ccc(S(=O)(=O)/N=C/C=C/c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.52
TRPA1 O75762 1/20 0.51
PPARG P37231 1/20 0.51
NFE2L2 Q16236 1/20 0.51
MAPT P10636 2/20 0.49
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
MMP1 P03956 2/20 0.46
MMP9 P14780 2/20 0.46
MMP13 P45452 2/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.45
HSPD1 P10809 1/20 0.44
TNFRSF1A P19438 1/20 0.44
MAOB P27338 1/20 0.44
HSPE1 P61604 1/20 0.44
CYP1B1 Q16678 1/20 0.44
F2 P00734 1/20 0.44

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
SCHEMBL3040083 1.00 ALDH1A1 (0.52) ALDH1A1TRPA1PPARGNFE2L2MAPT
SCHEMBL3040080 1.00 ALDH1A1 (0.52) ALDH1A1TRPA1PPARGNFE2L2MAPT
SCHEMBL3025150 0.93 ALDH1A1 (0.60) ALDH1A1TRPA1NFE2L2MAPTLMNA
SCHEMBL3025149 0.93 ALDH1A1 (0.60) ALDH1A1TRPA1NFE2L2MAPTLMNA
SCHEMBL3025148 0.93 ALDH1A1 (0.60) ALDH1A1TRPA1NFE2L2MAPTLMNA
SCHEMBL14446276 0.87 ALDH1A1 (0.70) ALDH1A1MAPTLMNAMMP1MMP9
SCHEMBL3037863 0.86 ALDH1A1 (0.53) ALDH1A1NFE2L2MAPTMMP1MMP9
SCHEMBL3037864 0.86 ALDH1A1 (0.53) ALDH1A1NFE2L2MAPTMMP1MMP9
SCHEMBL3037867 0.86 ALDH1A1 (0.53) ALDH1A1NFE2L2MAPTMMP1MMP9
SCHEMBL3030332 0.83 ALDH1A1 (0.50) ALDH1A1MAPTLMNAMMP1MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501658-B2 Enantioselective reactions catalyzed by chiral triazolium salts THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-08-06 US disclosed
US-8501658-B2 Enantioselective reactions catalyzed by chiral triazolium salts THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-08-06 US disclosed
US-8501658-B2 Enantioselective reactions catalyzed by chiral triazolium salts THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-08-06 US disclosed
US-20100210452-A1 ENANTIOSELECTIVE REACTIONS CATALYZED BY CHIRAL TRIAZOLIUM SALTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-08-19 US disclosed
US-20100210452-A1 ENANTIOSELECTIVE REACTIONS CATALYZED BY CHIRAL TRIAZOLIUM SALTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-08-19 US disclosed
US-20100210452-A1 ENANTIOSELECTIVE REACTIONS CATALYZED BY CHIRAL TRIAZOLIUM SALTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-08-19 US disclosed
WO-2007124494-A2 ENANTIOSELECTVE REACTIONS CATALYZED BY CHIRAL TRIAZOLIUM SALTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-11-01 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 (1 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-20100210452-A1 ENANTIOSELECTIVE REACTIONS CATALYZED BY CHIRAL TRIAZOLIUM SALTS IDH1, MDM4, PCNA ALDH1A1 1165/4885TRPA1 2762/4885PPARG 4360/4885

“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.