SCHEMBL1449552

SCHEMBL1449552

[CH]1N=Cc2ccccc2S1

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 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
SCHEMBL29563655 0.79 TRPA1 (0.41) TRPA1
SCHEMBL38113 0.79 TRPA1 (0.41) TRPA1
SCHEMBL20145049 0.68 TRPA1 (0.39) TRPA1
SCHEMBL210027 0.67 TRPA1 (0.38) TRPA1
SCHEMBL2514497 0.67 TRPA1 (0.38) TRPA1
SCHEMBL9429041 0.66 TRPA1 (0.46) TRPA1
SCHEMBL5622867 0.66
SCHEMBL2549810 0.66 TRPA1 (0.46) TRPA1
SCHEMBL5637470 0.66 TRPA1 (0.46) TRPA1
SCHEMBL29116644 0.66 TRPA1 (0.46) TRPA1

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 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6432964-B1 A THIENYLPYRIMIDINE COMPOUND AGREVO UK LIMITED (GB) 2002-08-13 US claimed
EP-0299694-B1 Acrylate fungicides AVENTIS CROPSCIENCE UK LTD (GB) 2000-10-11 EP claimed
US-20190100547-A1 METHOD FOR PREPARING 2'-O-FUCOSYLLACTOSE BASF SE (DE) 2019-04-04 US disclosed
EP-3426669-A1 METHOD FOR PREPARING 2'-O-FUCOSYLLACTOSE BASF SE (DE) 2019-01-16 EP disclosed
WO-2017153452-A1 METHOD FOR PREPARING 2'-O-FUCOSYLLACTOSE BASF SE (DE) 2017-09-14 WO disclosed
EP-1656349-B1 CYCLOPROPYL DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS LUNDBECK & CO AS H (DK) 2011-10-12 EP disclosed
US-7910613-B2 2-acylaminothiazole derivatives H. LUNDBECK A/S (DK) 2011-03-22 US disclosed
US-7834008-B2 neurokinin receptor 3 (NK3) antagonists; psychological disorders, inflammatory bowel disease, asthma, ischemia, Parkinson's disease; e.g. (1S,2R)-2-(4-Acetylamino-4-phenyl-piperidin-1-ylmethyl)-1-(3,4-dichlorophenyl)-cyclopropanecarboxylic acid, benzyl-methyl-amide H. LUNDBECK A/S (DK) 2010-11-16 US disclosed
US-20090247593-A1 N-THIAZOL-2-YL-BENZAMIDE DERIVATIVES H. LUNDBECK A/S (DK) 2009-10-01 US disclosed
US-20090137642-A1 2-Acylaminothiazole Derivatives H. LUNDBECK A/S (DK) 2009-05-28 US disclosed
US-7384957-B2 3,4-dihydro-1H-isoquinolin-2-yl-derivatives H. LUNDBECK A/S (DK) 2008-06-10 US disclosed
EP-0527182-A1 PREPARATION OF PROPENOIC ACID DERIVATIVES AgrEvo UK Limited (GB) 1993-02-17 EP disclosed
WO-1992021653-A1 PROPENOIC ACID DERIVATIVES SCHERING AGROCHEMICALS LIMITED (GB) 1992-12-10 WO disclosed
EP-0517301-A1 Propenoic acid derivatives AgrEvo UK Limited (GB) 1992-12-09 EP disclosed
US-5093364-A 5-FLUOROANTHRANILIC FUNGICIDES SCHERING AGROCHEMICALS LIMITED (GB) 1992-03-03 US disclosed
WO-1991017152-A1 PREPARATION OF PROPENOIC ACID DERIVATIVES SCHERING AGROCHEMICALS LIMITED (GB) 1991-11-14 WO disclosed
WO-1991007385-A1 PREPARATION OF PROPENOIC ACID DERIVATIVES SCHERING AGROCHEMICALS LIMITED (GB) 1991-05-30 WO disclosed
EP-0416746-A2 Fungicides containing an alkoxycarbonylvinyl group or an alkyloxyimino group AGREVO UK LIMITED (GB) 1991-03-13 EP disclosed
EP-0360417-A2 Derivatives of 4-fluoroanthranilic acid and their use as fungicides SCHERING AGROCHEMICALS LIMITED (GB) 1990-03-28 EP disclosed
EP-0299694-A2 Acrylate fungicides AgrEvo UK Limited (GB) 1989-01-18 EP 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 (3 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-20090137642-A1 2-Acylaminothiazole Derivatives ADORA2A, HTR2C, ADORA2B TRPA1 269/4885
US-20090247593-A1 N-THIAZOL-2-YL-BENZAMIDE DERIVATIVES ADORA2A, ADORA3, ADORA1 TRPA1 183/4885
US-20190100547-A1 METHOD FOR PREPARING 2'-O-FUCOSYLLACTOSE FUCA2, CBR1, FUT6 TRPA1 2398/4885

“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.