SCHEMBL4171469

SCHEMBL4171469

COc1ccc(C=C(C#N)S(=O)(=O)Nc2ccc(C)cc2C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.59
PKM P14618 1/20 0.59
FFAR4 Q5NUL3 2/20 0.54
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 4/20 0.44
CYP3A4 P08684 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
APEX1 P27695 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 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
SCHEMBL4171461 1.00 HPGD (0.59) HPGDPKMFFAR4ALDH1A1KMT2A
SCHEMBL4171465 1.00 HPGD (0.59) HPGDPKMFFAR4ALDH1A1KMT2A
SCHEMBL4188580 0.87 CYTH2 (0.44) HPGDPKMFFAR4ALDH1A1KMT2A
SCHEMBL4188578 0.87 CYTH2 (0.44) HPGDPKMFFAR4ALDH1A1KMT2A
SCHEMBL4188573 0.87 CYTH2 (0.44) HPGDPKMFFAR4ALDH1A1KMT2A
SCHEMBL4177156 0.86 FFAR4 (0.48) HPGDPKMFFAR4ALDH1A1KMT2A
SCHEMBL4177161 0.86 FFAR4 (0.48) HPGDPKMFFAR4ALDH1A1KMT2A
SCHEMBL4177165 0.86 FFAR4 (0.48) HPGDPKMFFAR4ALDH1A1KMT2A
SCHEMBL4185860 0.86 PTGES2 (0.41) HPGDPKMFFAR4ALDH1A1KMT2A
SCHEMBL4185856 0.86 PTGES2 (0.41) HPGDPKMFFAR4ALDH1A1KMT2A

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 HPGD 2134/4885PKM 2657/4885FFAR4 3824/4885

“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.