SCHEMBL4185286

SCHEMBL4185286

COc1cc(/C=C(\C#N)S(=O)(=O)Cc2ccc(Cl)cc2)cc(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 3/20 0.44
HPGD P15428 2/20 0.42
PKM P14618 1/20 0.42
EGFR P00533 5/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ABL1 P00519 1/20 0.40
ABCB1 P08183 1/20 0.40
BCR P11274 1/20 0.40
NFE2L2 Q16236 2/20 0.40
ERBB2 P04626 3/20 0.39
MAPT P10636 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
KIF20A O95235 1/20 0.37
CYP24A1 Q07973 1/20 0.37
PPME1 Q9Y570 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
SCHEMBL4185291 1.00 NQO2 (0.44) NQO2HPGDPKMEGFRMEN1
SCHEMBL4185288 1.00 NQO2 (0.44) NQO2HPGDPKMEGFRMEN1
SCHEMBL4192017 0.91 NQO2 (0.53) NQO2HPGDPKMEGFRMEN1
SCHEMBL4192014 0.91 NQO2 (0.53) NQO2HPGDPKMEGFRMEN1
SCHEMBL4192011 0.91 NQO2 (0.53) NQO2HPGDPKMEGFRMEN1
SCHEMBL4184666 0.89 ALDH1A1 (0.46) NQO2HPGDPKMEGFRMEN1
SCHEMBL4184669 0.89 ALDH1A1 (0.46) NQO2HPGDPKMEGFRMEN1
SCHEMBL4184673 0.89 ALDH1A1 (0.46) NQO2HPGDPKMEGFRMEN1
SCHEMBL4179404 0.89 HPGD (0.54) HPGDPKMEGFRMEN1KMT2A
SCHEMBL4179398 0.89 HPGD (0.54) HPGDPKMEGFRMEN1KMT2A

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.