SCHEMBL4094987

SCHEMBL4094987

COc1ccc(O)c(NS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP1B1 Q16678 1/20 0.47
▸ CHRNA7 P36544 1/20 0.45
▸ PTGES2 Q9H7Z7 4/20 0.44
▸ ERN1 O75460 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ ABCG2 Q9UNQ0 1/20 0.44
▸ NFE2L2 Q16236 1/20 0.43
▸ AURKA O14965 1/20 0.43
▸ PLK1 P53350 4/20 0.43
▸ MET P08581 1/20 0.43
▸ NQO2 P16083 1/20 0.43
▸ FECH P22830 1/20 0.43
▸ CLK3 P49761 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ POLB P06746 1/20 0.43

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
SCHEMBL2209440 0.85 CYP1A1 (0.47) CYP1A1CYP1A2CYP1B1PTGES2ALDH1A1
SCHEMBL2213657 0.83 LMNA (0.51) CYP1A1CYP1A2CYP1B1ALDH1A1HTT
SCHEMBL2214088 0.82 PLK1 (0.45) CYP1A1CYP1A2CYP1B1PTGES2ALDH1A1
SCHEMBL2209636 0.82 CYP1A1 (0.47) CYP1A1CYP1A2CYP1B1PTGES2ALDH1A1
SCHEMBL2212465 0.81 PLK1 (0.42) CYP1A1CYP1A2CYP1B1PTGES2ALDH1A1
SCHEMBL2210837 0.80 PLK1 (0.63) CYP1A1CYP1A2CYP1B1ALDH1A1HTT
SCHEMBL1122446 0.80 ALDH1A1 (0.63) CYP1A1CYP1A2CYP1B1PTGES2ALDH1A1
SCHEMBL828284 0.80 NQO2 (0.48) CYP1A1CYP1B1ERN1ALDH1A1ABCG2
SCHEMBL828283 0.80 NQO2 (0.48) CYP1A1CYP1B1ERN1ALDH1A1ABCG2
SCHEMBL2213223 0.79 TSHR (0.48) CYP1A1CYP1A2CYP1B1PTGES2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-A2 UNSATURATED SULFIDES, SULFONES, SULFOXIDES AND SULFONAMIDES SYNTHESIS Temple University of the Commonwealth System of Higher Education (US) 2008-03-12 — — EP claimed
US-20080058290-A1 Substituted Phenoxy-and Phenylthio-Derivatives for Treating Proliferative Disorders TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2008-03-06 — — US claimed
EP-1740530-A4 SUBSTITUTED PHENOXY- AND PHENYLTHIO- DERIVATIVES FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2008-02-27 — — EP claimed
JP-2007529530-A — — 2007-10-25 — — JP claimed
EP-1740530-A2 SUBSTITUTED PHENOXY- AND PHENYLTHIO- DERIVATIVES FOR TREATING PROLIFERATIVE DISORDERS Temple University of the Commonwealth System of Higher Education (US) 2007-01-10 — — EP claimed
WO-2006091870-A2 UNSATURATED SULFIDES, SULFONES, SULFOXIDES AND SULFONAMIDES SYNTHESIS TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-08-31 — — WO claimed
WO-2005089269-A2 SUBSTITUTED PHENOXY- AND PHENYLTHIO- DERIVATIVES FOR TREATING PROLIFERATIVE DISORDERS TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2005-09-29 — — WO 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 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 (2 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-20080058290-A1 Substituted Phenoxy-and Phenylthio-Derivatives for Treating Proliferative Disorders PCNA, MKI67, TP53 CYP1A1 676/4885CYP1A2 1234/4885CYP1B1 1067/4885
US-20090124828-A1 Unsaturated Sulfides, Sulfones, Sulfoxides and Sulfonamides Synthesis SULT2A1, SULT1A1, ARSA CYP1A1 379/4885CYP1A2 289/4885CYP1B1 501/4885

“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.

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