SCHEMBL15034669

SCHEMBL15034669

CC[C@@H](C)C(C(=O)OC)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
NOS3 P29474 3/20 0.36
NOS1 P29475 3/20 0.36
NOS2 P35228 3/20 0.36
PSENEN Q9NZ42 1/20 0.36
CA14 Q9ULX7 2/20 0.35
CA12 O43570 1/20 0.35
PIK3CD O00329 1/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
MMP8 P22894 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL15034668 1.00 CA1 (0.42) CA1CA2SMN1; SMN2NOS3NOS1
SCHEMBL15034670 1.00 CA1 (0.42) CA1CA2SMN1; SMN2NOS3NOS1
SCHEMBL28583609 0.84 CA1 (0.44) CA1CA2SMN1; SMN2CA14CA12
SCHEMBL21564994 0.80 CTSS (0.32) CTSSCTSK
SCHEMBL14355029 0.80 SMN1; SMN2 (0.48) CA1CA2SMN1; SMN2CA14CA12
SCHEMBL12445335 0.80 SMN1; SMN2 (0.48) CA1CA2SMN1; SMN2CA14CA12
SCHEMBL5511092 0.80 SMN1; SMN2 (0.48) CA1CA2SMN1; SMN2CA14CA12
SCHEMBL28061655 0.79 SMN1; SMN2 (0.46) CA1CA2SMN1; SMN2CA14CA12
SCHEMBL23256541 0.74 CYP4F2 (0.40)
SCHEMBL17000158 0.74 SMN1; SMN2 (0.46) CA1CA2SMN1; SMN2NOS3NOS1

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-20140235642-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-08-21 US disclosed
US-8778941-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2014-07-15 US disclosed
US-20130158034-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2013-06-20 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 (2 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-20130158034-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 CA1 1021/4885CA2 240/4885SMN1; SMN2 837/4885
US-20140235642-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 CA1 1021/4885CA2 240/4885SMN1; SMN2 837/4885

“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.