SCHEMBL15043776

SCHEMBL15043776

CC(=O)c1ccc2ccc(=O)[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
CA1 P00915 1/20 0.47
CA3 P07451 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA13 Q8N1Q1 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
CYP2A6 P11509 1/20 0.46
SMYD3 Q9H7B4 1/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42

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
SCHEMBL3793284 0.87 CA12 (0.58) CA12CA9CA1CA3CA4
SCHEMBL30480906 0.84 CA12 (0.46) CA12CA9CA1CA3CA4
SCHEMBL29018543 0.84 CA12 (0.46) CA12CA9CA1CA3CA4
SCHEMBL4440417 0.83 KDM4E (0.59) CA12CA9CA1CA3CA4
SCHEMBL30270565 0.83 KDM4E (0.59) CA12CA9CA1CA3CA4
SCHEMBL24125147 0.81 CA12 (0.47) CA12CA9CA1CA3CA4
SCHEMBL4435557 0.81 LCK (0.47) CA12CA9CA1CA3CA4
SCHEMBL15046545 0.81 KIF11 (0.53) CA12CA9CA1CA7CA14
SCHEMBL4434572 0.81 CA12 (0.43) CA12CA9CA1CA3CA4
SCHEMBL6419283 0.78 PLG (0.51) CYP2A6MAPTALDH1A1HPGDKIF11

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-20130157996-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 (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-20130157996-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 CA12 2722/4885CA9 2291/4885CA1 1021/4885

“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.