SCHEMBL4191874

SCHEMBL4191874

CCOc1ccc(/C=C(\C#N)S(=O)(=O)Nc2ccc(OC)cc2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.55
MAPT P10636 6/20 0.55
KMT2A Q03164 6/20 0.51
KDM4E B2RXH2 3/20 0.51
CACNA1B Q00975 1/20 0.51
APBA1 Q02410 1/20 0.51
MEN1 O00255 5/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
KLK7 P49862 2/20 0.47
KLK14 Q9P0G3 2/20 0.47
ST14 Q9Y5Y6 1/20 0.47
KLK5 Q9Y337 1/20 0.46
PKM P14618 2/20 0.46
HTT P42858 1/20 0.46
HPGD P15428 4/20 0.45
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CA12 O43570 1/20 0.44

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
SCHEMBL4191885 1.00 ALDH1A1 (0.55) ALDH1A1MAPTKMT2AKDM4ECACNA1B
SCHEMBL4191881 1.00 ALDH1A1 (0.55) ALDH1A1MAPTKMT2AKDM4ECACNA1B
SCHEMBL4185399 0.91 ALDH1A1 (0.50) ALDH1A1MAPTKMT2AKDM4ECACNA1B
SCHEMBL4185406 0.91 ALDH1A1 (0.50) ALDH1A1MAPTKMT2AKDM4ECACNA1B
SCHEMBL4179642 0.91 ALDH1A1 (0.50) ALDH1A1MAPTKMT2AKDM4ECACNA1B
SCHEMBL4179635 0.91 ALDH1A1 (0.50) ALDH1A1MAPTKMT2AKDM4ECACNA1B
SCHEMBL4179644 0.91 ALDH1A1 (0.50) ALDH1A1MAPTKMT2AKDM4ECACNA1B
SCHEMBL4185404 0.91 ALDH1A1 (0.50) ALDH1A1MAPTKMT2AKDM4ECACNA1B
SCHEMBL4179370 0.82 MAPT (0.56) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL4179375 0.82 MAPT (0.56) ALDH1A1MAPTKMT2AKDM4EMEN1

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 ALDH1A1 249/4885MAPT 3633/4885KMT2A 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.