SCHEMBL17519982

SCHEMBL17519982

CSC(=O)CCCCN=C=S

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 8/20 0.53
KEAP1 Q14145 7/20 0.47
NFE2L2 Q16236 7/20 0.47
MIF P14174 3/20 0.47
NAAA Q02083 1/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
BACH1 O14867 1/20 0.46
MAFK O60675 1/20 0.46
EGFR P00533 1/20 0.46
PTGS2 P35354 1/20 0.46
GSK3B P49841 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
SCHEMBL362346 0.79 KEAP1 (0.50) TRPA1KEAP1NFE2L2MIFNAAA
SCHEMBL3109402 0.77 MIF (0.52) TRPA1KEAP1NFE2L2MIFNAAA
SCHEMBL3120743 0.76 NAAA (0.52) TRPA1KEAP1NFE2L2MIFNAAA
SCHEMBL3117317 0.75 MIF (0.56) TRPA1KEAP1NFE2L2MIFNAAA
SCHEMBL1805417 0.75 MIF (0.56) TRPA1KEAP1NFE2L2MIFNAAA
SCHEMBL3128515 0.74 NAAA (0.55) TRPA1KEAP1NFE2L2MIFNAAA
SCHEMBL3119816 0.74 NAAA (0.61) TRPA1KEAP1NFE2L2MIFNAAA
SCHEMBL17519951 0.74 TSHR (0.52) TRPA1KEAP1NFE2L2MIFNAAA
Hydrochloric Acid SCHEMBL9698829 0.73 MIF (0.54) TRPA1KEAP1NFE2L2MIFNAAA
SCHEMBL9698334 0.73 MIF (0.54) TRPA1KEAP1NFE2L2MIFNAAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190046530-A1 PHASE 2 INDUCERS AND RELATED SIGNALING PATHWAYS PROTECT CARTILAGE AGAINST INFLAMMATION, APOPTOSIS AND STRESS KONSTANTOPOULOS KONSTANTINOS (US) 2019-02-14 US disclosed
US-20160038485-A1 PHASE 2 INDUCERS AND RELATED SIGNALING PATHWAYS PROTECT CARTILAGE AGAINST INFLAMMATION, APOPTOSIS AND STRESS TALALAY, PAUL 2016-02-11 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 (2 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-20190046530-A1 PHASE 2 INDUCERS AND RELATED SIGNALING PATHWAYS PROTECT CARTILAGE AGAINST INFLAMMATION, APOPTOSIS AND STRESS PTGS2, PTGES2, CCAR2 TRPA1 388/4885KEAP1 393/4885NFE2L2 9/4885
US-20160038485-A1 PHASE 2 INDUCERS AND RELATED SIGNALING PATHWAYS PROTECT CARTILAGE AGAINST INFLAMMATION, APOPTOSIS AND STRESS PTGS2, PTGES2, CCAR2 TRPA1 388/4885KEAP1 393/4885NFE2L2 9/4885

“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.