SCHEMBL14933784

SCHEMBL14933784

C[S@@+]([O-])CCCCCCN=C=S

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 5/20 0.54
TRPA1 O75762 8/20 0.48
MIF P14174 4/20 0.48
GSK3B P49841 1/20 0.46
KEAP1 Q14145 2/20 0.42
NFE2L2 Q16236 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
BACH1 O14867 1/20 0.42
MAFK O60675 1/20 0.42
EGFR P00533 1/20 0.42
PTGS2 P35354 1/20 0.42

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
SCHEMBL1607282 1.00 NAAA (0.54) NAAATRPA1MIFGSK3BKEAP1
SCHEMBL5070755 1.00 NAAA (0.54) NAAATRPA1MIFGSK3BKEAP1
SCHEMBL1607124 1.00 NAAA (0.54) NAAATRPA1MIFGSK3BKEAP1
SCHEMBL1607149 1.00 NAAA (0.54) NAAATRPA1MIFGSK3BKEAP1
SCHEMBL14933787 1.00 NAAA (0.54) NAAATRPA1MIFGSK3BKEAP1
SCHEMBL25332541 1.00 NAAA (0.54) NAAATRPA1MIFGSK3BKEAP1
SCHEMBL1606718 1.00 NAAA (0.54) NAAATRPA1MIFGSK3BKEAP1
SCHEMBL106183 1.00 NAAA (0.54) NAAATRPA1MIFGSK3BKEAP1
SCHEMBL2485837 1.00 NAAA (0.54) NAAATRPA1MIFGSK3BKEAP1
Sulforaphane SCHEMBL20855320 0.98 NAAA (0.50) NAAATRPA1MIFGSK3BKEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210401791-A1 METHODS AND COMPOSITIONS FOR REDUCING ALCOHOL TOXICITY THE JOHNS HOPKINS UNIVERSITY (US) 2021-12-30 US disclosed
EP-2859890-A2 Methods and compositions for treatment of autism The Johns Hopkins University (US) 2015-04-15 EP disclosed
US-20150087702-A1 METHODS AND COMPOSITIONS FOR REDUCING ALCOHOL TOXICITY UNIV JOHNS HOPKINS (US) 2015-03-26 US disclosed
US-20150087702-A1 METHODS AND COMPOSITIONS FOR REDUCING ALCOHOL TOXICITY UNIV JOHNS HOPKINS (US) 2015-03-26 US disclosed
US-20150051288-A1 Methods and Compositions for Treatment of Autism UNIV JOHNS HOPKINS (US) 2015-02-19 US disclosed
US-8937050-B2 Methods and compositions for treatment of autism THE JOHNS HOPKINS UNIVERSITY (US) 2015-01-20 US disclosed
US-20130123203-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF AUTISM KENNEDY KRIEGER INSTITUTE, INC. 2013-05-16 US disclosed
WO-2013067040-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF AUTISM THE JOHNS HOPKINS UNIVERSITY (US) 2013-05-10 WO 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-20150051288-A1 Methods and Compositions for Treatment of Autism CHAT, AHCY, SYNGR2 NAAA 206/4885TRPA1 3820/4885MIF 4883/4885
US-20210401791-A1 METHODS AND COMPOSITIONS FOR REDUCING ALCOHOL TOXICITY ADH1C, ADH1A, ADH5 NAAA 896/4885TRPA1 4012/4885MIF 3920/4885
US-20150087702-A1 METHODS AND COMPOSITIONS FOR REDUCING ALCOHOL TOXICITY ADH1C, ADH1A, ADH5 NAAA 896/4885TRPA1 4012/4885MIF 3920/4885
US-20130123203-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF AUTISM CHAT, AHCY, SYNGR2 NAAA 206/4885TRPA1 3820/4885MIF 4883/4885

“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.