SCHEMBL7110488

SCHEMBL7110488

S=CCCCCCCCC=S

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.32

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
SCHEMBL7114578 1.00
SCHEMBL16095480 1.00 TRPA1 (0.32) TRPA1
SCHEMBL820047 0.95
SCHEMBL15545823 0.89
SCHEMBL2373861 0.89
SCHEMBL16702853 0.89
SCHEMBL5945223 0.86
SCHEMBL626060 0.84
SCHEMBL4254341 0.83
SCHEMBL165910 0.83 TRPA1 (0.31) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6667341-B2 Amidomethyl esters, carbonylmercaptomethyl esters, keto-containing esters, amidomethyl thioesters, amidomethyl amides, and methylene dithioesters; anticancer agents, hemological disorders, and inherited metabolic disorders BEACON LABORATORIES, INC. 2003-12-23 US disclosed
US-20030171409-A1 Novel delta dicarbonyl compounds and methods for using the same BEACON LABORATORIES, INC, A DELAWARE CORPORATION 2003-09-11 US disclosed
US-6562995-B1 Amidomethyl esters, carbonylmercaptomethyl esters, keto-containing esters, amidomethyl thioesters, amidomethyl amides, and methylene dithioesters are disclosed. The novel compounds have two carbonyl groups connected by a linking moiety having BEACON LABORATORIES, INC. 2003-05-13 US disclosed
US-20020137775-A1 Novel delta dicarbonyl compounds and methods for using the same ERRANT GENE THERAPEUTICS, LLC 2002-09-26 US disclosed
EP-1216986-A2 Novel delta dicarbonyl compounds and methods for using same Beacon Laboratories, Inc. (US) 2002-06-26 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 (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-20030171409-A1 Novel delta dicarbonyl compounds and methods for using the same HCCS, CPS1, ACAA2 TRPA1 4700/4885
US-20020137775-A1 Novel delta dicarbonyl compounds and methods for using the same HCCS, CPS1, ACAA2 TRPA1 4700/4885

“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.