SCHEMBL3160982

SCHEMBL3160982

CCOc1cc(C=CS(=O)(=O)Cc2ccc(OC)cc2)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.62
ABCB1 P08183 1/20 0.62
BCR P11274 1/20 0.62
TOP2A P11388 1/20 0.51
ALDH1A1 P00352 1/20 0.50
NFE2L2 Q16236 1/20 0.50
STK17B O94768 3/20 0.49
IKBKB O14920 1/20 0.49
AURKA O14965 1/20 0.49
DAPK3 O43293 1/20 0.49
GSK3B P49841 1/20 0.49
BLK P51451 1/20 0.49
BTK Q06187 1/20 0.49
STK17A Q9UEE5 1/20 0.49
DAPK2 Q9UIK4 1/20 0.49
TUBB1 Q9H4B7 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALOX5 P09917 1/20 0.46
CXCL12 P48061 1/20 0.46

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
SCHEMBL3160973 1.00 ABL1 (0.62) ABL1ABCB1BCRTOP2AALDH1A1
SCHEMBL5974346 0.91 NFE2L2 (0.62) ABCB1TOP2AALDH1A1NFE2L2GSK3B
SCHEMBL5974352 0.91 NFE2L2 (0.62) ABCB1TOP2AALDH1A1NFE2L2GSK3B
SCHEMBL3157397 0.88 TUBB1 (0.49) ABL1ABCB1BCRALDH1A1TUBB1
SCHEMBL3157383 0.88 TUBB1 (0.49) ABL1ABCB1BCRALDH1A1TUBB1
SCHEMBL3160398 0.82 TUBB4A (0.59) ALDH1A1NFE2L2TUBB1MAPTPTGS1
SCHEMBL3160404 0.82 TUBB4A (0.59) ALDH1A1NFE2L2TUBB1MAPTPTGS1
SCHEMBL5974745 0.81 CXCL12 (0.55) ABCB1TOP2AALDH1A1NFE2L2GSK3B
SCHEMBL5974751 0.81 CXCL12 (0.55) ABCB1TOP2AALDH1A1NFE2L2GSK3B
SCHEMBL827716 0.80 NFE2L2 (0.51) ABL1ABCB1BCRALDH1A1NFE2L2

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-1328511-B1 SUBSTITUTED (E)-STYRYL BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2010-03-24 EP disclosed
US-7053123-B2 Substituted (e)-styryl benzylsulfones for treating proliferative disorders TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-05-30 US disclosed
EP-1328511-A4 SUBSTITUTED (E)-STYRYL BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2005-11-30 EP disclosed
US-20050101528-A1 Substituted (e)-styryl benzylsulfones for treating proliferative disorders TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2005-05-12 US disclosed
EP-1328511-A1 SUBSTITUTED (E)-STYRYL BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS Temple University of the Commonwealth System of Higher Education (US) 2003-07-23 EP disclosed
WO-2002028828-A1 SUBSTITUTED (E)-STYRYL BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2002-04-11 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-20050101528-A1 Substituted (e)-styryl benzylsulfones for treating proliferative disorders CCNO, HCCS, CCNT1 ABL1 595/4885ABCB1 3258/4885BCR 1502/4885

“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.