SCHEMBL827715

SCHEMBL827715

COc1ccc(/C=C/S(=O)(=O)Cc2ccc(OC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.51
HDAC8 Q9BY41 1/20 0.50
PPARG P37231 1/20 0.50
ESR1 P03372 2/20 0.49
CYP1A1 P04798 2/20 0.49
PTGS2 P35354 2/20 0.49
CYP1B1 Q16678 2/20 0.49
AHR P35869 2/20 0.49
ABL1 P00519 1/20 0.49
TTR P02766 1/20 0.49
CYP1A2 P05177 1/20 0.49
ABCB1 P08183 1/20 0.49
ALOX5 P09917 1/20 0.49
BCR P11274 1/20 0.49
CYP19A1 P11511 1/20 0.49
NQO2 P16083 1/20 0.49
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49

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
SCHEMBL827716 1.00 NFE2L2 (0.51) NFE2L2HDAC8PPARGESR1CYP1A1
SCHEMBL1195437 0.93 NFE2L2 (0.58) NFE2L2HDAC8PPARGNQO2ALDH1A1
SCHEMBL5871373 0.93 APP (0.46) NFE2L2HDAC8PPARGESR1CYP1A1
SCHEMBL827221 0.93 NFE2L2 (0.63) NFE2L2HDAC8PPARGAHRLMNA
SCHEMBL1195439 0.93 NFE2L2 (0.58) NFE2L2HDAC8PPARGNQO2ALDH1A1
SCHEMBL827222 0.93 NFE2L2 (0.63) NFE2L2HDAC8PPARGAHRLMNA
SCHEMBL5871376 0.93 APP (0.46) NFE2L2HDAC8PPARGESR1CYP1A1
SCHEMBL1195417 0.93 MAOA (0.49) NFE2L2HDAC8PPARGESR1CYP1A1
SCHEMBL1195420 0.93 MAOA (0.49) NFE2L2HDAC8PPARGESR1CYP1A1
SCHEMBL828024 0.92 PPARG (0.61) NFE2L2HDAC8PPARGCYP1B1LMNA

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
EP-1896401-B1 UNSATURATED SULFIDES, SULFONES, SULFOXIDES AND SULFONAMIDES SYNTHESIS UNIV TEMPLE (US) 2013-04-10 EP claimed
US-8143453-B2 Unsaturated sulfides, sulfones, sulfoxides and sulfonamides synthesis Temple University—Of the Commonwealth System of Higher Education (US) 2012-03-27 US claimed
US-20090124828-A1 Unsaturated Sulfides, Sulfones, Sulfoxides and Sulfonamides Synthesis TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-05-14 US claimed
EP-1896401-B1 UNSATURATED SULFIDES, SULFONES, SULFOXIDES AND SULFONAMIDES SYNTHESIS UNIV TEMPLE (US) 2013-04-10 EP disclosed
US-8143453-B2 Unsaturated sulfides, sulfones, sulfoxides and sulfonamides synthesis Temple University—Of the Commonwealth System of Higher Education (US) 2012-03-27 US disclosed
US-20090124828-A1 Unsaturated Sulfides, Sulfones, Sulfoxides and Sulfonamides Synthesis TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-05-14 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 (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-20090124828-A1 Unsaturated Sulfides, Sulfones, Sulfoxides and Sulfonamides Synthesis SULT2A1, SULT1A1, ARSA NFE2L2 102/4885HDAC8 1520/4885PPARG 356/4885

“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.