SCHEMBL1962555

SCHEMBL1962555

C#CCS(=O)(=O)C1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA7 P43166 1/20 0.30
CA14 Q9ULX7 1/20 0.30

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
SCHEMBL1965629 0.98
SCHEMBL28012283 0.79 CA12 (0.31) CA12CA1CA7CA14
SCHEMBL4075674 0.77 ALDH1A1 (0.32) CA12CA1CA7CA14
SCHEMBL4071125 0.77 ALDH1A1 (0.32) CA12CA1CA7CA14
SCHEMBL4076855 0.77 ALDH1A1 (0.32) CA12CA1CA7CA14
SCHEMBL4073912 0.74
SCHEMBL1060897 0.72 CA1 (0.36) CA12CA1CA7CA14
SCHEMBL778401 0.70 MMP1 (0.35) CA12CA1CA7CA14
SCHEMBL5662340 0.69 CA1 (0.33) CA12CA1CA7CA14
SCHEMBL14454083 0.69 CA1 (0.33) CA12CA1CA7CA14

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-20110143939-A1 QUINOXALIN-2-ONE DERIVATIVES, COMPOSITIONS WHICH PROTECT USEFUL PLANTS AND COMPRISE THESE DERIVATIVES, AND PROCESSES FOR THEIR PREPARATION AND THEIR USE BAYER CROPSCIENCE AG (DE) 2011-06-16 US disclosed
US-7332509-B2 Heterocyclic amides, a process for their preparation, compositions comprising them and their use MERIAL LIMITED (US) 2008-02-19 US disclosed
US-20060173022-A1 Heterocyclic amides, method for the production thereof, substances containing said heterocyclic amides, and use thereof as pesticides BAYER CROPSCIENCE GMBH (DE) 2006-08-03 US disclosed
US-20050256000-A1 Quinoxalin-2-one derivatives, compositions which protect useful plants and comprise these derivatives, and processes for their preparation and their use BAYER CROPSCIENCE GMBH (DE) 2005-11-17 US disclosed
US-20040006047-A1 Heterocyclic amides, a process for their preparation, compositions comprising them and their use MERIAL LIMITED 2004-01-08 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-20050256000-A1 Quinoxalin-2-one derivatives, compositions which protect useful plants and comprise these derivatives, and processes for their preparation and their use QSOX1, CYC1, CBR3 CA12 3309/4885CA1 1753/4885CA7 1415/4885
US-20110143939-A1 QUINOXALIN-2-ONE DERIVATIVES, COMPOSITIONS WHICH PROTECT USEFUL PLANTS AND COMPRISE THESE DERIVATIVES, AND PROCESSES FOR THEIR PREPARATION AND THEIR USE QSOX1, PRDX2, NQO2 CA12 4121/4885CA1 1868/4885CA7 2233/4885
US-20040006047-A1 Heterocyclic amides, a process for their preparation, compositions comprising them and their use CBR1, HCN1, SCN1A CA12 753/4885CA1 117/4885CA7 355/4885
US-20060173022-A1 Heterocyclic amides, method for the production thereof, substances containing said heterocyclic amides, and use thereof as pesticides CBR3, CBR1, C3AR1 CA12 1443/4885CA1 807/4885CA7 1295/4885

“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.