SCHEMBL4182904

SCHEMBL4182904

COc1ccc(CS(=O)(=O)/C(C#N)=C/c2ccc(O)c(O)c2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 6/20 0.58
▸ ALDH1A1 P00352 4/20 0.49
▸ ALOX15 P16050 2/20 0.49
▸ ALOX12 P18054 2/20 0.49
▸ PKM P14618 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ ALPG P10696 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ APP P05067 1/20 0.47
▸ CYP1A2 P05177 1/20 0.45
▸ MMP1 P03956 1/20 0.44
▸ HTT P42858 1/20 0.44

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
SCHEMBL4182912 1.00 EGFR (0.58) EGFRALDH1A1ALOX15ALOX12PKM
SCHEMBL4182910 1.00 EGFR (0.58) EGFRALDH1A1ALOX15ALOX12PKM
SCHEMBL4178331 0.86 EGFR (0.58) EGFRALDH1A1ALOX15ALOX12PKM
SCHEMBL4178324 0.86 EGFR (0.58) EGFRALDH1A1ALOX15ALOX12PKM
SCHEMBL4178327 0.86 EGFR (0.58) EGFRALDH1A1ALOX15ALOX12PKM
SCHEMBL4185280 0.84 CYP1A2 (0.50) EGFRALDH1A1PKMKDM4EMEN1
SCHEMBL4185283 0.84 CYP1A2 (0.50) EGFRALDH1A1PKMKDM4EMEN1
SCHEMBL4182744 0.84 ALDH1A1 (0.53) EGFRALDH1A1PKMKDM4EMEN1
SCHEMBL4182741 0.84 ALDH1A1 (0.53) EGFRALDH1A1PKMKDM4EMEN1
SCHEMBL4182739 0.84 ALDH1A1 (0.53) EGFRALDH1A1PKMKDM4EMEN1

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 EGFR 66/4885ALDH1A1 249/4885ALOX15 2341/4885

“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.

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