SCHEMBL1323451

SCHEMBL1323451

O=C(/C=C\c1ccc(Br)cc1)NS(=O)(=O)/C=C/c1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
LMNA P02545 4/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
TRPA1 O75762 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
PTGES2 Q9H7Z7 1/20 0.46
SLC5A1 P13866 1/20 0.45
SLC5A2 P31639 1/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ESR1 P03372 1/20 0.44

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
SCHEMBL1323452 1.00 CYP1A2 (0.49) CYP1A2LMNARAB9ASMN1; SMN2NPC1
SCHEMBL1324735 1.00 CYP1A2 (0.49) CYP1A2LMNARAB9ASMN1; SMN2NPC1
SCHEMBL1323598 1.00 CYP1A2 (0.49) CYP1A2LMNARAB9ASMN1; SMN2NPC1
SCHEMBL1324399 0.95 CYP1A2 (0.46) CYP1A2LMNARAB9ASMN1; SMN2NPC1
SCHEMBL1324397 0.95 CYP1A2 (0.46) CYP1A2LMNARAB9ASMN1; SMN2NPC1
SCHEMBL1323314 0.84 LMNA (0.40) LMNAHDAC3HDAC4HDAC1HDAC2
SCHEMBL1324240 0.84 HDAC2 (0.57) CYP1A2LMNARAB9ASMN1; SMN2NPC1
SCHEMBL1324806 0.84 HDAC2 (0.57) CYP1A2LMNARAB9ASMN1; SMN2NPC1
SCHEMBL1323607 0.84 LMNA (0.40) LMNAHDAC3HDAC4HDAC1HDAC2
SCHEMBL1324320 0.84 HDAC2 (0.57) CYP1A2LMNARAB9ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773310-B9 ALPHA, BETA-UNSATURATED SULFONES, SULFOXIDES, SULFONIMIDES, SULFINIMIDES, ACYLSULFONAMIDES AND ACYLSULFINAMIDES AND THERAPEUTIC USES THEREOF UNIV TEMPLE (US) 2012-04-25 EP claimed
US-8058313-B2 4-((1E)-2-(((E)-2-fluoro-4-cyanostyrylsulfonyl)methylsulfonyl)vinyl)-3-fluoro-benzonitrile; mitogen activated protein kinase inhibitor; cell growth factor receptor antagonist; angiogenesis inhibitor, antiproliferative and anticarcinogenic agent; neurodegenerative diseases Temple University—Of the Commonwealth System of Higher Education (US) 2011-11-15 US claimed
EP-1773310-B1 ALPHA, BETA-UNSATURATED SULFONES, SULFOXIDES, SULFONIMIDES, SULFINIMIDES, ACYLSULFONAMIDES AND ACYLSULFINAMIDES AND THERAPEUTIC USES THEREOF UNIV TEMPLE (US) 2011-10-19 EP claimed
US-20080070974-A1 Alpha, Beta-Unsaturated Sulfones, Sulfoxides, Sulfonimides, Sulfinimides, Acylsulfonamides and Acylsulfinamides and Therapeutic Uses Thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2008-03-20 US claimed
EP-1773310-B9 ALPHA, BETA-UNSATURATED SULFONES, SULFOXIDES, SULFONIMIDES, SULFINIMIDES, ACYLSULFONAMIDES AND ACYLSULFINAMIDES AND THERAPEUTIC USES THEREOF UNIV TEMPLE (US) 2012-04-25 EP disclosed
US-8058313-B2 4-((1E)-2-(((E)-2-fluoro-4-cyanostyrylsulfonyl)methylsulfonyl)vinyl)-3-fluoro-benzonitrile; mitogen activated protein kinase inhibitor; cell growth factor receptor antagonist; angiogenesis inhibitor, antiproliferative and anticarcinogenic agent; neurodegenerative diseases Temple University—Of the Commonwealth System of Higher Education (US) 2011-11-15 US disclosed
EP-1773310-B1 ALPHA, BETA-UNSATURATED SULFONES, SULFOXIDES, SULFONIMIDES, SULFINIMIDES, ACYLSULFONAMIDES AND ACYLSULFINAMIDES AND THERAPEUTIC USES THEREOF UNIV TEMPLE (US) 2011-10-19 EP disclosed
US-20080070974-A1 Alpha, Beta-Unsaturated Sulfones, Sulfoxides, Sulfonimides, Sulfinimides, Acylsulfonamides and Acylsulfinamides and Therapeutic Uses Thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2008-03-20 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 (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-20080070974-A1 Alpha, Beta-Unsaturated Sulfones, Sulfoxides, Sulfonimides, Sulfinimides, Acylsulfonamides and Acylsulfinamides and Therapeutic Uses Thereof DEGS1, SULT1E1, PTDSS1 CYP1A2 1780/4885LMNA 1859/4885RAB9A 2895/4885

“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.