SCHEMBL6725302

SCHEMBL6725302

CC#CCC(C)S(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.38
GRIK2 Q13002 1/20 0.38
TP53 P04637 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
SCHEMBL28438788 0.87 TP53 (0.33) TP53
SCHEMBL6728745 0.73
SCHEMBL576672 0.73 GRIK1 (0.32) GRIK1GRIK2
SCHEMBL27936252 0.70
SCHEMBL14955034 0.68 TP53 (0.42) TP53
SCHEMBL14955405 0.68 TP53 (0.37) TP53
Potassium Ion SCHEMBL29692778 0.67 TP53 (0.33) TP53
SCHEMBL490897 0.66
SCHEMBL2207241 0.66
SCHEMBL4253570 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed
US-6737544-B1 HEATING ABOVE MELTING POINT BASF AKTIENGESELLSCHAFT (DE) 2004-05-18 US disclosed
US-6150303-A Substituted 3-phenylisoxazolines BASF AKTIENGESELLSCHAFT (DE) 2000-11-21 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 (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-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles CBR1, CBR3, QSOX1 GRIK1 292/4885GRIK2 344/4885TP53 4256/4885

“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.