SCHEMBL5872029

SCHEMBL5872029

O=[N+]([O-])c1ccccc1C=CC(c1ccc(I)cc1)S(=O)(=O)C(C=Cc1ccccc1[N+](=O)[O-])c1ccc(I)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.44
▸ MAPT P10636 6/20 0.43
▸ SOS1 Q07889 1/20 0.42
▸ CYP19A1 P11511 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ RAB9A P51151 5/20 0.40
▸ LMNA P02545 2/20 0.40
▸ ATM Q13315 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ MEN1 O00255 6/20 0.39
▸ KMT2A Q03164 6/20 0.39
▸ NPC1 O15118 4/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ AR P10275 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ BACE1 P56817 1/20 0.37

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
SCHEMBL1194649 0.87 ALDH1A1 (0.55) MAOBMAPTSOS1CYP19A1ALDH1A1
SCHEMBL1195131 0.87 MAPT (0.55) MAOBMAPTSOS1CYP19A1ALDH1A1
SCHEMBL1195488 0.87 MAPT (0.46) MAOBMAPTSOS1CYP19A1ALDH1A1
SCHEMBL1193127 0.87 MEN1 (0.46) MAOBMAPTSOS1CYP19A1ALDH1A1
SCHEMBL1194910 0.84 CYP19A1 (0.56) MAOBMAPTCYP19A1ALDH1A1RAB9A
SCHEMBL1194897 0.84 MAOB (0.41) MAOBMAPTSOS1CYP19A1ALDH1A1
SCHEMBL5871836 0.76 APP (0.45) MAOBMAPTCYP19A1RAB9ANPC1
SCHEMBL31122778 0.74 CYP19A1 (0.57) MAOBMAPTSOS1CYP19A1ALDH1A1
SCHEMBL1194627 0.73 MAPK1 (0.42) MAOBMAPTSOS1CYP19A1ALDH1A1
SCHEMBL5872024 0.71 HTT (0.44) MAOBMAPTSOS1CYP19A1ALDH1A1

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 MAOB 4306/4885MAPT 4805/4885SOS1 839/4885
US-20040229959-A1 (E)-styryl sulfone anticancer agents SULT1E1, CCNE1, RPS3A MAOB 3806/4885MAPT 4497/4885SOS1 524/4885

“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.

Send feedback