SCHEMBL4179071

SCHEMBL4179071

O=[N+]([O-])/C(=C\c1c(F)c(F)c(F)c(F)c1F)S(=O)(=O)Cc1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 2/20 0.39
▸ BRAF P15056 2/20 0.38
▸ LMNA P02545 2/20 0.36
▸ EGFR P00533 6/20 0.36
▸ ERBB2 P04626 6/20 0.36
▸ TXNRD1 Q16881 1/20 0.36
▸ PKM P14618 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL4179075 1.00 FBP1 (0.39) FBP1BRAFLMNAEGFRERBB2
SCHEMBL4179077 1.00 FBP1 (0.39) FBP1BRAFLMNAEGFRERBB2
SCHEMBL4185305 0.85 TXNRD1 (0.40) EGFRERBB2TXNRD1MEN1KMT2A
SCHEMBL4185310 0.85 TXNRD1 (0.40) EGFRERBB2TXNRD1MEN1KMT2A
SCHEMBL4185303 0.85 TXNRD1 (0.40) EGFRERBB2TXNRD1MEN1KMT2A
SCHEMBL4177119 0.80 ALDH1A1 (0.42) LMNAMEN1KMT2AMAPTCA1
SCHEMBL4177115 0.80 ALDH1A1 (0.42) LMNAMEN1KMT2AMAPTCA1
SCHEMBL4177117 0.80 ALDH1A1 (0.42) LMNAMEN1KMT2AMAPTCA1
SCHEMBL4191938 0.79 MAOA (0.44) LMNAEGFRERBB2TXNRD1MAPT
SCHEMBL4191935 0.79 MAOA (0.44) LMNAEGFRERBB2TXNRD1MAPT

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 FBP1 2948/4885BRAF 372/4885LMNA 4621/4885

“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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