SCHEMBL6719942

SCHEMBL6719942

C#CC(C)CCS(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.33
PDE4A P27815 1/20 0.33
LMNA P02545 1/20 0.33
SLC6A6 P31641 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
APP P05067 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
SCHEMBL6725588 0.76
SCHEMBL329794 0.72
SCHEMBL27865464 0.70 PTGS1 (0.39) PTGS1PDE4ALMNASLC6A6CYP2C19
Iodide SCHEMBL27949561 0.70 PTGS1 (0.39) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL27402740 0.70
SCHEMBL27504401 0.70 PTGS1 (0.39) PTGS1PDE4ALMNASLC6A6CYP2C19
Fluoride SCHEMBL14840306 0.70 PTGS1 (0.39) PTGS1PDE4ALMNASLC6A6CYP2C19
Ammonia Solution, Strong SCHEMBL18008481 0.70 PTGS1 (0.39) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL5026578 0.70
Bromide SCHEMBL28075718 0.70 PTGS1 (0.39) PTGS1PDE4ALMNASLC6A6CYP2C19

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 PTGS1 995/4885PDE4A 4649/4885LMNA 3553/4885

“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.