SCHEMBL4189537

SCHEMBL4189537

COc1ccc(NS(=O)(=O)/C(C#N)=C\c2ccc(OC)c(OC)c2OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
PKM P14618 2/20 0.41
HPGD P15428 1/20 0.41
TP53 P04637 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 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
SCHEMBL4189540 1.00 MEN1 (0.42) MEN1KMT2APKMHPGDTP53
SCHEMBL4189533 1.00 MEN1 (0.42) MEN1KMT2APKMHPGDTP53
SCHEMBL4174346 0.89 TP53 (0.40) MEN1KMT2ATP53CA1CA2
SCHEMBL4174340 0.89 TP53 (0.40) MEN1KMT2ATP53CA1CA2
SCHEMBL4174348 0.89 TP53 (0.40) MEN1KMT2ATP53CA1CA2
SCHEMBL4183621 0.85 MEN1 (0.47) MEN1KMT2APKMHPGDCA1
SCHEMBL4183626 0.85 MEN1 (0.47) MEN1KMT2APKMHPGDCA1
SCHEMBL4183625 0.85 MEN1 (0.47) MEN1KMT2APKMHPGDCA1
SCHEMBL4189363 0.83 CA1 (0.51) MEN1KMT2APKMHPGDCA1
SCHEMBL4185240 0.83 KDM4E (0.51) MEN1KMT2APKMHPGDCA1

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 6 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
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 claimed
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 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 469/4885PKM 2657/4885

“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.