SCHEMBL2628779

SCHEMBL2628779

CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)Nc1cccc(C(N)=O)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 4/20 0.58
PARP1 P09874 9/20 0.58
PARP10 Q53GL7 8/20 0.58
PARP15 Q460N3 4/20 0.49
EPHX1 P07099 1/20 0.49
TRPV1 Q8NER1 1/20 0.46
APEX1 P27695 1/20 0.44
ALOX5AP P20292 1/20 0.43
PARP14 Q460N5 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL299356 1.00 TRPM8 (0.58) TRPM8PARP1PARP10PARP15EPHX1
SCHEMBL2628752 0.91 TRPM8 (0.61) TRPM8PARP1PARP10EPHX1TRPV1
SCHEMBL2628645 0.86 TRPM8 (0.70) TRPM8EPHX1TRPV1ALDH1A1MEN1
SCHEMBL291318 0.86 TRPM8 (0.70) TRPM8EPHX1TRPV1ALDH1A1MEN1
SCHEMBL15133466 0.85 TRPM8 (0.62) TRPM8EPHX1TRPV1ALDH1A1
SCHEMBL2628762 0.85 TRPM8 (0.62) TRPM8EPHX1TRPV1ALDH1A1
SCHEMBL10072944 0.84 TRPM8 (0.61) TRPM8EPHX1TRPV1ALDH1A1MEN1
SCHEMBL10073491 0.83 TRPM8 (0.73) TRPM8EPHX1MEN1KMT2A
SCHEMBL4817890 0.83 TRPM8 (0.73) TRPM8EPHX1MEN1KMT2A
SCHEMBL4143429 0.83 TRPM8 (0.60) TRPM8EPHX1TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130190296-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2013-07-25 US disclosed
US-20130190296-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2013-07-25 US disclosed
US-8389730-B2 Compositions and methods for the treatment of disease associated with TRP-P8 expression DENDREON CORPORATION (US) 2013-03-05 US disclosed
US-8389730-B2 Compositions and methods for the treatment of disease associated with TRP-P8 expression DENDREON CORPORATION (US) 2013-03-05 US disclosed
US-8362264-B2 Tryptophan antagonist; anticancer agents DENDREON CORPORATION (US) 2013-01-29 US disclosed
US-8362264-B2 Tryptophan antagonist; anticancer agents DENDREON CORPORATION (US) 2013-01-29 US disclosed
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2012-04-19 US disclosed
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2012-04-19 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-20130190296-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 TRPM8 10/4885PARP1 3239/4885PARP10 1822/4885
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 TRPM8 8/4885PARP1 3913/4885PARP10 2666/4885

“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.