SCHEMBL4174783

SCHEMBL4174783

COc1ccc(NS(=O)(=O)/C(C#N)=C/c2ccc(Cl)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.54
PKM P14618 2/20 0.54
MAPT P10636 5/20 0.48
ALDH1A1 P00352 4/20 0.48
CYP3A4 P08684 2/20 0.48
TSHR P16473 2/20 0.48
NFKB1 P19838 2/20 0.48
BLM P54132 2/20 0.48
PMP22 Q01453 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
KDM4E B2RXH2 2/20 0.48
CYP1A2 P05177 1/20 0.48
APEX1 P27695 1/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
PPIA P62937 1/20 0.47
RAB9A P51151 3/20 0.47
MEN1 O00255 3/20 0.47

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
SCHEMBL4174793 1.00 HPGD (0.54) HPGDPKMMAPTALDH1A1CYP3A4
SCHEMBL4179045 1.00 HPGD (0.54) HPGDPKMMAPTALDH1A1CYP3A4
SCHEMBL4174788 1.00 HPGD (0.54) HPGDPKMMAPTALDH1A1CYP3A4
SCHEMBL4179039 1.00 HPGD (0.54) HPGDPKMMAPTALDH1A1CYP3A4
SCHEMBL4179048 1.00 HPGD (0.54) HPGDPKMMAPTALDH1A1CYP3A4
SCHEMBL4182775 0.89 PKM (0.55) HPGDPKMMAPTALDH1A1CYP3A4
SCHEMBL4182768 0.89 PKM (0.55) HPGDPKMMAPTALDH1A1CYP3A4
SCHEMBL4182777 0.89 PKM (0.55) HPGDPKMMAPTALDH1A1CYP3A4
SCHEMBL4179355 0.88 HPGD (0.54) HPGDPKMMAPTALDH1A1CYP3A4
SCHEMBL4191994 0.88 HPGD (0.54) HPGDPKMMAPTALDH1A1CYP3A4

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 HPGD 2134/4885PKM 2657/4885MAPT 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.