SCHEMBL4172704

SCHEMBL4172704

COc1ccc(NS(=O)(=O)C(C#N)=Cc2cc(Cl)cc(Cl)c2Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
PKM P14618 2/20 0.40
HPGD P15428 1/20 0.40
ACLY P53396 1/20 0.39
PPIA P62937 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
FFAR4 Q5NUL3 1/20 0.38
IDH1 O75874 1/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 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
SCHEMBL4172698 1.00 PGR (0.42) PGRMEN1KMT2APKMHPGD
SCHEMBL4172703 1.00 PGR (0.42) PGRMEN1KMT2APKMHPGD
SCHEMBL4181652 0.85 PKM (0.37) KMT2APKMACLYCA1CA2
SCHEMBL4181650 0.85 PKM (0.37) KMT2APKMACLYCA1CA2
SCHEMBL4181647 0.85 PKM (0.37) KMT2APKMACLYCA1CA2
SCHEMBL4179048 0.81 HPGD (0.54) PGRMEN1KMT2APKMHPGD
SCHEMBL4174783 0.81 HPGD (0.54) PGRMEN1KMT2APKMHPGD
SCHEMBL4174788 0.81 HPGD (0.54) PGRMEN1KMT2APKMHPGD
SCHEMBL4179039 0.81 HPGD (0.54) PGRMEN1KMT2APKMHPGD
SCHEMBL4174793 0.81 HPGD (0.54) PGRMEN1KMT2APKMHPGD

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 PGR 1181/4885MEN1 2503/4885KMT2A 469/4885

“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.