SCHEMBL826538

SCHEMBL826538

COc1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 1.00
LMNA P02545 3/20 1.00
KMT2A Q03164 3/20 0.66
PKM P14618 1/20 0.66
PPARG P37231 1/20 0.61
NFE2L2 Q16236 1/20 0.61
HTT P42858 1/20 0.61
PTGES2 Q9H7Z7 1/20 0.60
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
TRPA1 O75762 1/20 0.54
EGFR P00533 1/20 0.54
MMP1 P03956 1/20 0.54
MMP2 P08253 1/20 0.54
MMP9 P14780 1/20 0.54
POLB P06746 2/20 0.52
GAA P10253 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL826539 1.00 ALDH1A1 (1.00) ALDH1A1LMNAKMT2APKMPPARG
SCHEMBL826463 0.92 ALDH1A1 (0.85) ALDH1A1LMNAKMT2APKMPPARG
SCHEMBL826464 0.92 ALDH1A1 (0.85) ALDH1A1LMNAKMT2APKMPPARG
SCHEMBL827806 0.85 ALDH1A1 (0.74) ALDH1A1LMNAKMT2APKMNFE2L2
SCHEMBL1122229 0.85 ALDH1A1 (0.74) ALDH1A1LMNAKMT2APKMNFE2L2
SCHEMBL827807 0.85 ALDH1A1 (0.74) ALDH1A1LMNAKMT2APKMNFE2L2
SCHEMBL1122431 0.84 KMT2A (0.77) ALDH1A1LMNAKMT2APKMHTT
SCHEMBL1122427 0.84 KMT2A (0.77) ALDH1A1LMNAKMT2APKMHTT
SCHEMBL1122729 0.83 ALDH1A1 (0.71) ALDH1A1LMNAPTGES2MAPT
SCHEMBL1122677 0.81 ALDH1A1 (0.68) ALDH1A1LMNAHTTPTGES2EGFR

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 5 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-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 ALDH1A1 331/4885LMNA 3162/4885KMT2A 2578/4885

“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.