SCHEMBL2628616

SCHEMBL2628616

CC(=O)c1ccc(NC(=O)[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 5/20 0.72
EPHX1 P07099 2/20 0.51
TRPV1 Q8NER1 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.45
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 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
SCHEMBL369792 1.00 TRPM8 (0.72) TRPM8EPHX1TRPV1MEN1KMT2A
SCHEMBL17559190 0.91 TRPM8 (0.61) TRPM8EPHX1TRPV1MEN1KMT2A
SCHEMBL4886771 0.90 TRPM8 (0.72) TRPM8EPHX1TRPV1MEN1KMT2A
SCHEMBL291318 0.89 TRPM8 (0.70) TRPM8EPHX1TRPV1MEN1KMT2A
SCHEMBL2628645 0.89 TRPM8 (0.70) TRPM8EPHX1TRPV1MEN1KMT2A
SCHEMBL13989013 0.88 TRPM8 (0.76) TRPM8EPHX1TRPV1ALDH1A1NPC1
SCHEMBL4817319 0.87 TRPM8 (0.75) TRPM8EPHX1TRPV1MEN1KMT2A
SCHEMBL10073486 0.87 TRPM8 (0.75) TRPM8EPHX1TRPV1MEN1KMT2A
SCHEMBL2628672 0.87 TRPM8 (0.75) TRPM8EPHX1TRPV1MEN1KMT2A
SCHEMBL4820732 0.87 TRPM8 (0.75) TRPM8EPHX1TRPV1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 TRPM8 8/4885EPHX1 2270/4885TRPV1 6/4885

“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.