SCHEMBL4179635

SCHEMBL4179635

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
KDM4E B2RXH2 3/20 0.50
PTPN7 P35236 1/20 0.48
PTPN12 Q05209 1/20 0.48
PTPN22 Q9Y2R2 1/20 0.48
KLK7 P49862 1/20 0.46
KLK14 Q9P0G3 1/20 0.46
ST14 Q9Y5Y6 1/20 0.46
KMT2A Q03164 7/20 0.45
MEN1 O00255 6/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 8/20 0.45
HTT P42858 2/20 0.45
PKM P14618 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 5/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPSR1 Q6W5P4 2/20 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
SCHEMBL4179642 1.00 ALDH1A1 (0.50) ALDH1A1KDM4EPTPN7PTPN12PTPN22
SCHEMBL4179644 1.00 ALDH1A1 (0.50) ALDH1A1KDM4EPTPN7PTPN12PTPN22
SCHEMBL4191885 0.91 ALDH1A1 (0.55) ALDH1A1KDM4EKLK7KLK14ST14
SCHEMBL4191881 0.91 ALDH1A1 (0.55) ALDH1A1KDM4EKLK7KLK14ST14
SCHEMBL4191874 0.91 ALDH1A1 (0.55) ALDH1A1KDM4EKLK7KLK14ST14
SCHEMBL4185404 0.90 ALDH1A1 (0.50) ALDH1A1KDM4EPTPN7PTPN12PTPN22
SCHEMBL4185406 0.90 ALDH1A1 (0.50) ALDH1A1KDM4EPTPN7PTPN12PTPN22
SCHEMBL4185399 0.90 ALDH1A1 (0.50) ALDH1A1KDM4EPTPN7PTPN12PTPN22
SCHEMBL4175669 0.83 CA12 (0.50) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL4175665 0.83 CA12 (0.50) ALDH1A1KDM4EKMT2AMEN1MAPT

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 249/4885KDM4E 1688/4885PTPN7 1865/4885

“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.