SCHEMBL3109402

SCHEMBL3109402

O=C(O)CCCCN=C=S

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.52
KEAP1 Q14145 4/20 0.50
NFE2L2 Q16236 4/20 0.50
LMNA P02545 3/20 0.50
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
PMP22 Q01453 1/20 0.48
NAAA Q02083 1/20 0.46
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
BACH1 O14867 1/20 0.45
MAFK O60675 1/20 0.45
EGFR P00533 1/20 0.45
PTGS2 P35354 1/20 0.45
GSK3B P49841 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.43
TRPA1 O75762 6/20 0.43

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
SCHEMBL3117317 0.98 MIF (0.56) MIFKEAP1NFE2L2LMNATSHR
SCHEMBL1805417 0.98 MIF (0.56) MIFKEAP1NFE2L2LMNATSHR
Hydrochloric Acid SCHEMBL9698829 0.96 MIF (0.54) MIFKEAP1NFE2L2LMNATSHR
SCHEMBL9531670 0.83
SCHEMBL362346 0.80 KEAP1 (0.50) MIFKEAP1NFE2L2LMNANAAA
SCHEMBL27455689 0.79 LMNA (0.52) LMNATSHRNFKB1PMP22ALDH1A1
Ethane SCHEMBL1821048 0.79 KEAP1 (0.40) MIFKEAP1NFE2L2LMNANAAA
SCHEMBL9698334 0.78 MIF (0.54) MIFKEAP1NFE2L2LMNATSHR
SCHEMBL4534096 0.77 TSHR (0.55) LMNATSHRNFKB1PMP22ALDH1A1
SCHEMBL4520459 0.77 TSHR (0.55) LMNATSHRNFKB1PMP22ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2163238-A2 Compound for lightening skin tone comprising sulforaphane or sulforaphene or their derivates Henkel AG & Co. KGaA (DE) 2010-03-17 EP claimed
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
US-7714004-B2 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER PHARMACEUTICALS CORPORATION (US) 2010-05-11 US disclosed
EP-2163238-A2 Compound for lightening skin tone comprising sulforaphane or sulforaphene or their derivates Henkel AG & Co. KGaA (DE) 2010-03-17 EP disclosed
US-20100015085-A1 PHASE 2 INDUCERS AND RELATED SIGNALING PATHWAYS PROTECT CARTILAGE AGAINST INFLAMMATION/INFECTION, APOPTOSIS AND STRESS JOHNS HOPKINS UNIVERSITY 2010-01-21 US disclosed
US-20060084680-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER PHARMACEUTICALS CORPORATION (US) 2006-04-20 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 (4 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 MIF 737/4885KEAP1 393/4885NFE2L2 9/4885
US-20060084680-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation INSR, ACACA, IAPP MIF 713/4885KEAP1 2478/4885NFE2L2 2387/4885
US-20160038485-A1 PHASE 2 INDUCERS AND RELATED SIGNALING PATHWAYS PROTECT CARTILAGE AGAINST INFLAMMATION, APOPTOSIS AND STRESS PTGS2, PTGES2, CCAR2 MIF 737/4885KEAP1 393/4885NFE2L2 9/4885
US-20100015085-A1 PHASE 2 INDUCERS AND RELATED SIGNALING PATHWAYS PROTECT CARTILAGE AGAINST INFLAMMATION/INFECTION, APOPTOSIS AND STRESS PTGES2, PTGS2, PPARG MIF 766/4885KEAP1 807/4885NFE2L2 10/4885

“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.