SCHEMBL6154825

SCHEMBL6154825

CCCCCC(C)N=C=S

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.56
TRPV1 Q8NER1 2/20 0.56
NAAA Q02083 1/20 0.41
OPRM1 P35372 1/20 0.41
CA1 P00915 2/20 0.34
SPHK1 Q9NYA1 1/20 0.34
TP53 P04637 1/20 0.33
LMNA P02545 1/20 0.33
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH4 P08319 1/20 0.32
ADH7 P40394 1/20 0.32
DNM1 Q05193 1/20 0.32
ACE2 Q9BYF1 1/20 0.31

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
SCHEMBL7979579 0.98 TRPA1 (0.54) TRPA1TRPV1NAAAOPRM1SPHK1
SCHEMBL8739301 0.98 TRPA1 (0.54) TRPA1TRPV1NAAAOPRM1SPHK1
SCHEMBL11422618 0.93
SCHEMBL8763286 0.85 TRPA1 (0.59) TRPA1TRPV1
SCHEMBL1021266 0.83
SCHEMBL9282879 0.83
SCHEMBL30350978 0.80 TRPA1 (0.65) TRPA1TRPV1
SCHEMBL483526 0.79 NAAA (0.43) TRPA1TRPV1NAAAOPRM1LMNA
SCHEMBL6892191 0.79 TRPA1 (0.52) TRPA1TRPV1LMNA
SCHEMBL6577575 0.77 NAAA (0.46) TRPA1TRPV1NAAAOPRM1SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107556450-B Dynamic polymer with hybrid cross-linked network and application thereof 翁秋梅 2020-11-24 CN disclosed
CN-109666120-A A kind of energy-absorbing method based on hydridization dynamic aggregation object 翁秋梅 2019-04-23 CN disclosed
CN-107556450-A A kind of dynamic aggregation thing and application with hybrid cross-linked network 翁秋梅 2018-01-09 CN disclosed
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US disclosed
EP-1446110-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES Structural Bioinformatics Inc. (US) 2004-08-18 EP disclosed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 WO disclosed
US-6225310-B1 Fused 1,2,4-thiadiazine derivatives, their preparation and use NOVO NORDISK A/S (DK) 2001-05-01 US disclosed
EP-1000066-A1 FUSED 1,2,4-THIADIAZINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-05-17 EP disclosed
WO-1999003861-A1 FUSED 1,2,4-THIADIAZINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1999-01-28 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 (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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP TRPA1 3115/4885TRPV1 3569/4885NAAA 4435/4885

“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.