SCHEMBL12866625

SCHEMBL12866625

CC[N+](CC)(CC)S(=O)(=O)NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.51
CA12 O43570 5/20 0.51
CA14 Q9ULX7 4/20 0.51
CA7 P43166 3/20 0.51
CA2 P00918 5/20 0.47
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CTSK P43235 3/20 0.33
APLNR P35414 1/20 0.33
CTSS P25774 1/20 0.33
CA9 Q16790 1/20 0.33
PTPRB P23467 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
SCHEMBL29172471 0.83 CA12 (0.50) CA1CA12CA14CA7CA2
SCHEMBL19342016 0.76 CA12 (0.58) CA1CA12CA14CA7CA2
Water SCHEMBL4106014 0.76 GAA (0.40) GAACYP2C9CYP2C19
SCHEMBL1693442 0.74 ALDH1A1 (0.33)
SCHEMBL13966219 0.72 CA12 (0.67) CA1CA12CA14CA7CA2
SCHEMBL29920660 0.72 CA12 (0.57) CA1CA12CA14CA7CA2
SCHEMBL13711201 0.72 CA12 (0.53) CA1CA12CA14CA7CA2
SCHEMBL13217304 0.71 CA12 (0.52) CA1CA12CA14CA7CA2
SCHEMBL192415 0.71 CA12 (0.52) CA1CA12CA14CA7CA2
SCHEMBL3762126 0.71 CA12 (0.52) CA1CA12CA14CA7CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046160-A1 Novel Class of Spiro Piperidines for the Treatment of Neurodegenerative Diseases PFIZER, INC. 2011-02-24 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-20110046160-A1 Novel Class of Spiro Piperidines for the Treatment of Neurodegenerative Diseases SNCA, PARK7, HTT CA1 4214/4885CA12 4863/4885CA14 4852/4885

“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.