SCHEMBL4178331

SCHEMBL4178331

COc1ccc(CS(=O)(=O)C(C#N)=Cc2ccc(O)c(O)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 6/20 0.58
▸ HPGD P15428 4/20 0.51
▸ ALOX15 P16050 3/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ PKM P14618 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ ALOX12 P18054 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ ALPG P10696 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ NQO2 P16083 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ ALOX5 P09917 1/20 0.44
▸ CYP1A2 P05177 2/20 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
SCHEMBL4178324 1.00 EGFR (0.58) EGFRHPGDALOX15KDM4EALDH1A1
SCHEMBL4178327 1.00 EGFR (0.58) EGFRHPGDALOX15KDM4EALDH1A1
SCHEMBL4186095 0.89 HPGD (0.60) EGFRHPGDKDM4EALDH1A1PKM
SCHEMBL4186100 0.89 HPGD (0.60) EGFRHPGDKDM4EALDH1A1PKM
SCHEMBL4186092 0.89 HPGD (0.60) EGFRHPGDKDM4EALDH1A1PKM
SCHEMBL4182912 0.86 EGFR (0.58) EGFRHPGDALOX15KDM4EALDH1A1
SCHEMBL4182904 0.86 EGFR (0.58) EGFRHPGDALOX15KDM4EALDH1A1
SCHEMBL4182910 0.86 EGFR (0.58) EGFRHPGDALOX15KDM4EALDH1A1
SCHEMBL4185280 0.86 CYP1A2 (0.50) EGFRHPGDKDM4EALDH1A1PKM
SCHEMBL4185283 0.86 CYP1A2 (0.50) EGFRHPGDKDM4EALDH1A1PKM

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 EGFR 66/4885HPGD 2134/4885ALOX15 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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