SCHEMBL1323607

SCHEMBL1323607

O=C(/C=C/c1ccc(I)cc1)NS(=O)(=O)/C=C/c1ccc(I)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
HDAC2 Q92769 8/20 0.40
HDAC3 O15379 6/20 0.40
HDAC1 Q13547 6/20 0.40
HDAC8 Q9BY41 6/20 0.40
HDAC6 Q9UBN7 6/20 0.40
HDAC4 P56524 4/20 0.40
HDAC10 Q969S8 4/20 0.39
HDAC11 Q96DB2 4/20 0.39
HDAC5 Q9UQL6 4/20 0.39
HDAC7 Q8WUI4 3/20 0.39
HDAC9 Q9UKV0 3/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
ADAM17 P78536 1/20 0.38
HTT P42858 1/20 0.38
MCHR1 Q99705 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
SCHEMBL1323310 1.00 LMNA (0.40) LMNAHDAC2HDAC3HDAC1HDAC8
SCHEMBL1323721 1.00 LMNA (0.40) LMNAHDAC2HDAC3HDAC1HDAC8
SCHEMBL1323314 1.00 LMNA (0.40) LMNAHDAC2HDAC3HDAC1HDAC8
SCHEMBL1324278 0.95 HDAC1 (0.39) LMNAHDAC2HDAC3HDAC1HDAC8
SCHEMBL1324281 0.95 HDAC1 (0.39) LMNAHDAC2HDAC3HDAC1HDAC8
SCHEMBL1324320 0.84 HDAC2 (0.57) LMNAHDAC2HDAC3HDAC1HDAC8
SCHEMBL1324806 0.84 HDAC2 (0.57) LMNAHDAC2HDAC3HDAC1HDAC8
SCHEMBL1323451 0.84 CYP1A2 (0.49) LMNAHDAC2HDAC3HDAC1HDAC8
SCHEMBL1324240 0.84 HDAC2 (0.57) LMNAHDAC2HDAC3HDAC1HDAC8
SCHEMBL1323452 0.84 CYP1A2 (0.49) LMNAHDAC2HDAC3HDAC1HDAC8

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
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
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
EP-1773310-A2 ALPHA, BETA-UNSATURATED SULFONES, SULFOXIDES, SULFONIMIDES, SULFINIMIDES, ACYLSULFONAMIDES AND ACYLSULFINAMIDES AND THERAPEUTIC USES THEREOF Temple University of the Commonwealth System of Higher Education (US) 2007-04-18 EP disclosed
WO-2006025924-A2 ALPHA, BETA-UNSATURATED SULFONES, SULFOXIDES, SULFONIMIDES, SULFINIMIDES, ACYLSULFONAMIDES AND ACYLSULFINAMIDES AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-03-09 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-20080070974-A1 Alpha, Beta-Unsaturated Sulfones, Sulfoxides, Sulfonimides, Sulfinimides, Acylsulfonamides and Acylsulfinamides and Therapeutic Uses Thereof DEGS1, SULT1E1, PTDSS1 LMNA 1859/4885HDAC2 571/4885HDAC3 787/4885

“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.