SCHEMBL4177419

SCHEMBL4177419

N#CC(=Cc1c[nH]c2ccc(Br)cc12)S(=O)(=O)Cc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.46
MEN1 O00255 7/20 0.46
PTGS2 P35354 1/20 0.46
MAPT P10636 6/20 0.44
POLB P06746 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CAPN1 P07384 1/20 0.41
CAPN2 P17655 1/20 0.41
LMNA P02545 2/20 0.41
BLM P54132 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CSNK2A1 P68400 1/20 0.39
CNR1 P21554 1/20 0.38
RXFP3 Q9NSD7 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 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
SCHEMBL4177414 1.00 KMT2A (0.46) KMT2AMEN1PTGS2MAPTPOLB
SCHEMBL4177418 1.00 KMT2A (0.46) KMT2AMEN1PTGS2MAPTPOLB
SCHEMBL4181609 0.90 RXFP3 (0.48) KMT2AMEN1PTGS2MAPTPOLB
SCHEMBL4181603 0.90 RXFP3 (0.48) KMT2AMEN1PTGS2MAPTPOLB
SCHEMBL4181607 0.90 RXFP3 (0.48) KMT2AMEN1PTGS2MAPTPOLB
SCHEMBL4183863 0.88 MAPT (0.44) KMT2AMEN1MAPTPOLBNPSR1
SCHEMBL4183864 0.88 MAPT (0.44) KMT2AMEN1MAPTPOLBNPSR1
SCHEMBL4183861 0.88 MAPT (0.44) KMT2AMEN1MAPTPOLBNPSR1
SCHEMBL4178135 0.85 MAPT (0.56) KMT2AMEN1PTGS2MAPTPOLB
SCHEMBL4178142 0.85 MAPT (0.56) KMT2AMEN1PTGS2MAPTPOLB

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 KMT2A 469/4885MEN1 2503/4885PTGS2 672/4885

“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.