SCHEMBL4182685

SCHEMBL4182685

N#CC(=Cc1c(F)c(F)c(F)c(F)c1F)S(=O)(=O)Cc1ccc(Br)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.36
ERBB2 P04626 5/20 0.36
PKM P14618 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
NLRP3 Q96P20 5/20 0.33
POLB P06746 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL4182678 1.00 EGFR (0.36) EGFRERBB2PKML3MBTL1LMNA
SCHEMBL4182683 1.00 EGFR (0.36) EGFRERBB2PKML3MBTL1LMNA
SCHEMBL4172185 0.88 PKM (0.44) EGFRERBB2PKML3MBTL1LMNA
SCHEMBL4172187 0.88 PKM (0.44) EGFRERBB2PKML3MBTL1LMNA
SCHEMBL4172179 0.88 PKM (0.44) EGFRERBB2PKML3MBTL1LMNA
SCHEMBL4175649 0.85 BRAF (0.41) EGFRERBB2PKML3MBTL1KMT2A
SCHEMBL4175639 0.85 BRAF (0.41) EGFRERBB2PKML3MBTL1KMT2A
SCHEMBL4175645 0.85 BRAF (0.41) EGFRERBB2PKML3MBTL1KMT2A
SCHEMBL4174178 0.85 PKM (0.52) EGFRERBB2PKML3MBTL1LMNA
SCHEMBL4174169 0.85 PKM (0.52) EGFRERBB2PKML3MBTL1LMNA

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 EGFR 66/4885ERBB2 23/4885PKM 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.