SCHEMBL4185310

SCHEMBL4185310

COc1ccc(CS(=O)(=O)C(=Cc2c(F)c(F)c(F)c(F)c2F)[N+](=O)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TXNRD1 Q16881 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ EGFR P00533 2/20 0.40
▸ ERBB2 P04626 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ CA12 O43570 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA13 Q8N1Q1 1/20 0.38
▸ APLNR P35414 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35

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
SCHEMBL4185305 1.00 TXNRD1 (0.40) TXNRD1KMT2AMEN1EGFRERBB2
SCHEMBL4185303 1.00 TXNRD1 (0.40) TXNRD1KMT2AMEN1EGFRERBB2
SCHEMBL4179077 0.85 FBP1 (0.39) TXNRD1KMT2AMEN1EGFRERBB2
SCHEMBL4179075 0.85 FBP1 (0.39) TXNRD1KMT2AMEN1EGFRERBB2
SCHEMBL4179071 0.85 FBP1 (0.39) TXNRD1KMT2AMEN1EGFRERBB2
SCHEMBL4177119 0.84 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1CA12CA1
SCHEMBL4177115 0.84 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1CA12CA1
SCHEMBL4177117 0.84 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1CA12CA1
SCHEMBL4169942 0.84 MEN1 (0.40) TXNRD1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL4169948 0.84 MEN1 (0.40) TXNRD1KMT2AMEN1ALDH1A1SMN1; SMN2

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 TXNRD1 116/4885KMT2A 469/4885MEN1 2503/4885

“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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