SCHEMBL3606282

SCHEMBL3606282

C=CS(=O)(=O)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.46
CA14 Q9ULX7 4/20 0.46
CA1 P00915 4/20 0.46
CA7 P43166 3/20 0.46
CA2 P00918 3/20 0.46
TDP1 Q9NUW8 1/20 0.34
CTSK P43235 3/20 0.33
DGAT1 O75907 1/20 0.33
MIF P14174 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL3606279 0.80 CA12 (0.46) CA12CA14CA1CA7CA2
SCHEMBL2011562 0.77 CA12 (0.50) CA12CA14CA1CA7CA2
SCHEMBL30157850 0.77 CA12 (0.41) CA12CA14CA1CA7CA2
SCHEMBL4062348 0.75 TDP1 (0.46) CA12CA14CA1CA7CA2
SCHEMBL756075 0.74 CA12 (0.52) CA12CA14CA1CA7CA2
SCHEMBL3762126 0.74 CA12 (0.52) CA12CA14CA1CA7CA2
SCHEMBL192415 0.74 CA12 (0.52) CA12CA14CA1CA7CA2
SCHEMBL13217304 0.74 CA12 (0.52) CA12CA14CA1CA7CA2
SCHEMBL23314763 0.73 CA12 (0.44) CA12CA14CA1CA7CA2
SCHEMBL1799649 0.72 CA1 (0.50) CA12CA14CA1CA7CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016396-A1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 US disclosed
EP-2128138-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-12-02 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 (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-20100016396-A1 PYRAZOLE COMPOUND SLC5A1, SLC5A2, GLP1R CA12 2472/4885CA14 2048/4885CA1 2349/4885

“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.