SCHEMBL5872024

SCHEMBL5872024

O=[N+]([O-])c1ccccc1C=CS(=O)(=O)Cc1ccc(I)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 1/20 0.43
SOS1 Q07889 1/20 0.42
CYP19A1 P11511 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAOB P27338 1/20 0.41
ALDH1A1 P00352 7/20 0.40
PKM P14618 1/20 0.40
BACE1 P56817 1/20 0.40
LMNA P02545 1/20 0.39
CA12 O43570 1/20 0.39

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
SCHEMBL5872020 1.00 HTT (0.44) HTTSMN1; SMN2MAPTSOS1CYP19A1
SCHEMBL1195482 0.87 HTT (0.44) HTTSMN1; SMN2MAPTSOS1CYP19A1
SCHEMBL1194647 0.87 ALDH1A1 (0.52) HTTSMN1; SMN2MAPTSOS1CYP19A1
SCHEMBL1195127 0.87 ALDH1A1 (0.53) HTTSMN1; SMN2MAPTSOS1CYP19A1
SCHEMBL1193124 0.87 MEN1 (0.55) HTTSMN1; SMN2MAPTSOS1CYP19A1
SCHEMBL1193123 0.87 MEN1 (0.55) HTTSMN1; SMN2MAPTSOS1CYP19A1
SCHEMBL1195485 0.87 HTT (0.44) HTTSMN1; SMN2MAPTSOS1CYP19A1
SCHEMBL1195126 0.87 ALDH1A1 (0.53) HTTSMN1; SMN2MAPTSOS1CYP19A1
SCHEMBL1194643 0.87 ALDH1A1 (0.52) HTTSMN1; SMN2MAPTSOS1CYP19A1
SCHEMBL1194908 0.84 ALDH1A1 (0.57) SMN1; SMN2MAPTCYP19A1MEN1KMT2A

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-7056953-B2 (E)-styryl sulfone anticancer agents TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-06-06 US disclosed
EP-1173160-B1 (E)-STYRYL SULFONE ANTICANCER AGENTS UNIV TEMPLE (US) 2005-06-22 EP disclosed
US-20040229959-A1 (E)-styryl sulfone anticancer agents TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2004-11-18 US disclosed
US-6787667-B2 POLYSULFONSTYRENE POLYMER TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2004-09-07 US disclosed
US-6762207-B1 TARGETING RECEPTOR TYROSINE KINASES; SELECTIVE TUMOR CELL APOPTOSIS TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2004-07-13 US disclosed
US-20030216535-A1 (E)-styryl sulfone anticancer agents TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2003-11-20 US disclosed
EP-1173160-A4 (E)-STYRYL SULFONE ANTICANCER AGENTS UNIV TEMPLE (US) 2003-02-19 EP disclosed
EP-1173160-A1 (E)-STYRYL SULFONE ANTICANCER AGENTS Temple University of the Commonwealth System of Higher Education (US) 2002-01-23 EP disclosed
WO-2000059495-A1 (E)-STYRYL SULFONE ANTICANCER AGENTS TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2000-10-12 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 (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-20030216535-A1 (E)-styryl sulfone anticancer agents KRAS, CCNE1, MCL1 HTT 2689/4885SMN1; SMN2 2355/4885MAPT 4805/4885
US-20040229959-A1 (E)-styryl sulfone anticancer agents SULT1E1, CCNE1, RPS3A HTT 4157/4885SMN1; SMN2 1106/4885MAPT 4497/4885

“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.