SCHEMBL4182907

SCHEMBL4182907

N#C/C(=C/c1ccc(F)cc1)S(=O)(=O)Cc1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.55
PKM P14618 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.43
EGFR P00533 3/20 0.42
ERBB2 P04626 2/20 0.42
HSP90AA1 P07900 1/20 0.41
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 3/20 0.39
THRB P10828 1/20 0.39
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
PPME1 Q9Y570 1/20 0.37
PTGES2 Q9H7Z7 1/20 0.36
MEN1 O00255 1/20 0.36
NSD2 O96028 1/20 0.36
IDE P14735 1/20 0.36

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
SCHEMBL4191735 1.00 BRAF (0.55) BRAFPKML3MBTL1ALDH1A1HTT
SCHEMBL4191738 1.00 BRAF (0.55) BRAFPKML3MBTL1ALDH1A1HTT
SCHEMBL4191744 1.00 BRAF (0.55) BRAFPKML3MBTL1ALDH1A1HTT
SCHEMBL4182911 1.00 BRAF (0.55) BRAFPKML3MBTL1ALDH1A1HTT
SCHEMBL4182900 1.00 BRAF (0.55) BRAFPKML3MBTL1ALDH1A1HTT
SCHEMBL4191715 0.93 BRAF (0.45) BRAFPKML3MBTL1EGFRHSP90AA1
SCHEMBL4191711 0.93 BRAF (0.45) BRAFPKML3MBTL1EGFRHSP90AA1
SCHEMBL4191717 0.93 BRAF (0.45) BRAFPKML3MBTL1EGFRHSP90AA1
SCHEMBL4174178 0.86 PKM (0.52) BRAFPKML3MBTL1ALDH1A1HTT
SCHEMBL4174169 0.86 PKM (0.52) BRAFPKML3MBTL1ALDH1A1HTT

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
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 claimed
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 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 BRAF 372/4885PKM 2657/4885L3MBTL1 3476/4885

“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.