SCHEMBL826253

SCHEMBL826253

COc1cc(OC)c(/C=C/S(=O)(=O)Nc2ccc(OC)c(N)c2)c(OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
LMNA P02545 2/20 0.47
CYP1A1 P04798 2/20 0.43
CYP1B1 Q16678 2/20 0.43
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
KMT2A Q03164 1/20 0.42
GHSR Q92847 1/20 0.41
PLK1 P53350 4/20 0.41
MET P08581 1/20 0.41
NQO2 P16083 1/20 0.41
FECH P22830 1/20 0.41
CLK3 P49761 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41

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
SCHEMBL30527938 1.00 ALDH1A1 (0.47) ALDH1A1LMNACYP1A1CYP1B1MEN1
SCHEMBL826254 1.00 ALDH1A1 (0.47) ALDH1A1LMNACYP1A1CYP1B1MEN1
Aminoserine SCHEMBL2208123 0.87 PLK1 (0.40) ALDH1A1LMNACYP1A1CYP1B1PLK1
Aminoserine SCHEMBL2210441 0.87 PLK1 (0.40) ALDH1A1LMNACYP1A1CYP1B1PLK1
SCHEMBL1122446 0.85 ALDH1A1 (0.63) ALDH1A1LMNACYP1A1CYP1B1MEN1
SCHEMBL828284 0.85 NQO2 (0.48) ALDH1A1LMNACYP1A1CYP1B1MEN1
SCHEMBL828283 0.85 NQO2 (0.48) ALDH1A1LMNACYP1A1CYP1B1MEN1
SCHEMBL1634613 0.85 ALDH1A1 (0.47) ALDH1A1LMNACYP1A1CYP1B1GHSR
SCHEMBL1634608 0.85 ALDH1A1 (0.47) ALDH1A1LMNACYP1A1CYP1B1GHSR
SCHEMBL2212994 0.84 ALDH1A1 (0.46) ALDH1A1LMNACYP1A1CYP1B1GHSR

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 15 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
EP-1534284-B1 AMINO-SUBSTITUTED SULFONANILIDES AND DERIVATIVES THEREOF FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2011-07-27 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
US-10383831-B2 2,4,6-trialkoxystryl aryl sulfones, sulfonamides and carboxamides, and methods of preparation and use Temple University—Of the Commonwealth System of Higher Education (US) 2019-08-20 US disclosed
US-20180243239-A1 2,4,6-TRIALKOXYSTRYL ARYL SULFONES, SULFONAMIDES AND CARBOXAMIDES, AND METHODS OF PREPARATION AND USE TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2018-08-30 US disclosed
WO-2017023912-A1 2,4,6-TRIALKOXYSTRYL ARYL SULFONES, SULFONAMIDES AND CARBOXAMIDES, AND METHODS OF PREPARATION AND USE TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-02-09 WO disclosed
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
EP-1534284-B1 AMINO-SUBSTITUTED SULFONANILIDES AND DERIVATIVES THEREOF FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2011-07-27 EP 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
US-7161031-B2 Amino-substituted sulfonanilides and derivatives thereof for treating proliferative disorders TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2007-01-09 US disclosed
EP-1534284-A4 AMINO-SUBSTITUTED SULFONANILIDES AND DERIVATIVES THEREOF FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2006-08-16 EP disclosed
EP-1534284-A2 AMINO-SUBSTITUTED SULFONANILIDES AND DERIVATIVES THEREOF FOR TREATING PROLIFERATIVE DISORDERS Temple University of the Commonwealth System of Higher Education (US) 2005-06-01 EP disclosed
US-20050096484-A1 Amino-substituted sulfonanilides and derivatives thereof for treating proliferative disorders ONCONOVA THERAPEUTICS, INC. 2005-05-05 US disclosed
WO-2003072063-A2 AMINO-SUBSTITUTED SULFONANILIDES AND DERIVATIVES THEREOF FOR TREATING PROLIFERATIVE DISORDERS TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2003-09-04 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 (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-20090124828-A1 Unsaturated Sulfides, Sulfones, Sulfoxides and Sulfonamides Synthesis SULT2A1, SULT1A1, ARSA ALDH1A1 331/4885LMNA 3162/4885CYP1A1 379/4885
US-10383831-B2 2,4,6-trialkoxystryl aryl sulfones, sulfonamides and carboxamides, and methods of preparation and use CCNY, STS, ARSA ALDH1A1 1603/4885LMNA 2516/4885CYP1A1 1101/4885
US-20050096484-A1 Amino-substituted sulfonanilides and derivatives thereof for treating proliferative disorders ARSA, MKI67, CCNA1 ALDH1A1 1651/4885LMNA 2497/4885CYP1A1 2146/4885
US-20180243239-A1 2,4,6-TRIALKOXYSTRYL ARYL SULFONES, SULFONAMIDES AND CARBOXAMIDES, AND METHODS OF PREPARATION AND USE CCNY, STS, ARSA ALDH1A1 1603/4885LMNA 2516/4885CYP1A1 1101/4885

“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.