SCHEMBL4192014

SCHEMBL4192014

COc1ccc(CS(=O)(=O)/C(C#N)=C\c2cc(OC)cc(OC)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 7/20 0.53
HPGD P15428 2/20 0.50
PKM P14618 1/20 0.50
EGFR P00533 1/20 0.44
CYP1A2 P05177 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
APEX1 P27695 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ESR1 P03372 2/20 0.43
ABL1 P00519 1/20 0.43
TTR P02766 1/20 0.43
CYP1A1 P04798 1/20 0.43
ABCB1 P08183 1/20 0.43

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
SCHEMBL4192011 1.00 NQO2 (0.53) NQO2HPGDPKMEGFRCYP1A2
SCHEMBL4192017 1.00 NQO2 (0.53) NQO2HPGDPKMEGFRCYP1A2
SCHEMBL4184673 0.92 ALDH1A1 (0.46) NQO2HPGDPKMEGFRCYP1A2
SCHEMBL4184666 0.92 ALDH1A1 (0.46) NQO2HPGDPKMEGFRCYP1A2
SCHEMBL4184669 0.92 ALDH1A1 (0.46) NQO2HPGDPKMEGFRCYP1A2
SCHEMBL4189380 0.91 NQO2 (0.47) NQO2HPGDPKMEGFRMEN1
SCHEMBL4189377 0.91 NQO2 (0.47) NQO2HPGDPKMEGFRMEN1
SCHEMBL4189374 0.91 NQO2 (0.47) NQO2HPGDPKMEGFRMEN1
SCHEMBL4185286 0.91 NQO2 (0.44) NQO2HPGDPKMEGFRCYP1A2
SCHEMBL4185291 0.91 NQO2 (0.44) NQO2HPGDPKMEGFRCYP1A2

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 2 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

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 NQO2 1049/4885HPGD 2134/4885PKM 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.