SCHEMBL4168077

SCHEMBL4168077

COc1ccc(CS(=O)(=O)/C(C#N)=C\c2ccc(F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.54
HPGD P15428 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
APEX1 P27695 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
EGFR P00533 1/20 0.45
ERBB2 P04626 1/20 0.45
NFE2L2 Q16236 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL4168075 1.00 PKM (0.54) PKMHPGDL3MBTL1ALDH1A1MAPT
SCHEMBL4168081 1.00 PKM (0.54) PKMHPGDL3MBTL1ALDH1A1MAPT
SCHEMBL4186100 0.94 HPGD (0.60) PKMHPGDALDH1A1MAPTKDM4E
SCHEMBL4186092 0.94 HPGD (0.60) PKMHPGDALDH1A1MAPTKDM4E
SCHEMBL4186095 0.94 HPGD (0.60) PKMHPGDALDH1A1MAPTKDM4E
SCHEMBL4189380 0.89 NQO2 (0.47) PKMHPGDL3MBTL1EGFRERBB2
SCHEMBL4189377 0.89 NQO2 (0.47) PKMHPGDL3MBTL1EGFRERBB2
SCHEMBL4189374 0.89 NQO2 (0.47) PKMHPGDL3MBTL1EGFRERBB2
SCHEMBL4185398 0.88 HPGD (0.54) PKMHPGDALDH1A1MAPTKDM4E
SCHEMBL4179398 0.88 HPGD (0.54) PKMHPGDALDH1A1MAPTKDM4E

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 1 patent. 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 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 PKM 2657/4885HPGD 2134/4885L3MBTL1 3476/4885

“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.