SCHEMBL4184769

SCHEMBL4184769

CN(C)c1ccc(C=C(C#N)S(=O)(=O)Nc2ccc(Br)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.48
ALDH1A1 P00352 8/20 0.48
KMT2A Q03164 7/20 0.48
MEN1 O00255 6/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
CA12 O43570 1/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
GFER P55789 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPK1 P28482 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.40
USP2 O75604 2/20 0.40
RECQL P46063 2/20 0.40
GAA P10253 1/20 0.40
RCE1 Q9Y256 1/20 0.40

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
SCHEMBL4184760 1.00 MAPT (0.48) MAPTALDH1A1KMT2AMEN1CA1
SCHEMBL4184765 1.00 MAPT (0.48) MAPTALDH1A1KMT2AMEN1CA1
SCHEMBL4178935 0.89 KDM4E (0.49) MAPTALDH1A1KMT2AMEN1CA1
SCHEMBL4178927 0.89 KDM4E (0.49) MAPTALDH1A1KMT2AMEN1CA1
SCHEMBL4178931 0.89 KDM4E (0.49) MAPTALDH1A1KMT2AMEN1CA1
SCHEMBL4177249 0.88 L3MBTL1 (0.49) MAPTALDH1A1KMT2AMEN1CA1
SCHEMBL4177251 0.88 L3MBTL1 (0.49) MAPTALDH1A1KMT2AMEN1CA1
SCHEMBL4177244 0.88 L3MBTL1 (0.49) MAPTALDH1A1KMT2AMEN1CA1
SCHEMBL4169989 0.85 HPGD (0.52) MAPTALDH1A1KMT2AMEN1CA1
SCHEMBL4169985 0.85 HPGD (0.52) MAPTALDH1A1KMT2AMEN1CA1

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 MAPT 3633/4885ALDH1A1 249/4885KMT2A 469/4885

“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.