SCHEMBL4172497

SCHEMBL4172497

COc1ccc(NS(=O)(=O)C(C#N)=Cc2c(OC)cccc2OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPT P10636 1/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
PKM P14618 3/20 0.44
HPGD P15428 1/20 0.44
POLB P06746 1/20 0.43
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KLK7 P49862 1/20 0.41
KLK14 Q9P0G3 1/20 0.41
KLK5 Q9Y337 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PGR P06401 1/20 0.41
RECQL P46063 1/20 0.40

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
SCHEMBL4172485 1.00 MEN1 (0.52) MEN1KMT2AMAPTCA1CA2
SCHEMBL4172491 1.00 MEN1 (0.52) MEN1KMT2AMAPTCA1CA2
SCHEMBL4185243 0.90 KDM4E (0.51) MEN1KMT2AMAPTCA1CA2
SCHEMBL4185240 0.90 KDM4E (0.51) MEN1KMT2AMAPTCA1CA2
SCHEMBL4185249 0.90 KDM4E (0.51) MEN1KMT2AMAPTCA1CA2
SCHEMBL4189137 0.90 CA1 (0.53) MEN1KMT2ACA1CA2PKM
SCHEMBL4189129 0.90 CA1 (0.53) MEN1KMT2ACA1CA2PKM
SCHEMBL4189136 0.90 CA1 (0.53) MEN1KMT2ACA1CA2PKM
SCHEMBL4183621 0.85 MEN1 (0.47) MEN1KMT2AMAPTCA1CA2
SCHEMBL4189363 0.85 CA1 (0.51) MEN1KMT2AMAPTCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090191193-A1 Aryl Vinyl Sulfides, Sulfones, Sulfoxides and Sulfonamides, Derivatives Thereof and Therapeutic Uses Thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-07-30 US claimed
US-20090191193-A1 Aryl Vinyl Sulfides, Sulfones, Sulfoxides and Sulfonamides, Derivatives Thereof and Therapeutic Uses Thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-07-30 US disclosed
EP-2046322-A2 ARYL VINYL SULFIDES, SULFONES, SULFOXIDES AND SULFONAMIDES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF Temple University of the Commonwealth System of Higher Education (US) 2009-04-15 EP disclosed
WO-2008016682-A2 ARYL VINYL SULFIDES, SULFONES, SULFOXIDES AND SULFONAMIDES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2008-02-07 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-20090191193-A1 Aryl Vinyl Sulfides, Sulfones, Sulfoxides and Sulfonamides, Derivatives Thereof and Therapeutic Uses Thereof ARSA, STS, SULT2A1 MEN1 2503/4885KMT2A 469/4885MAPT 3633/4885

“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.