SCHEMBL2628757

SCHEMBL2628757

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

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 5/20 0.58
SMN1; SMN2 Q16637 1/20 0.44
TRPV1 Q8NER1 2/20 0.43
EPHX1 P07099 1/20 0.43
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
KDM1A O60341 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
SERPINE1 P05121 1/20 0.40
LMNA P02545 1/20 0.40
PARP1 P09874 1/20 0.40
HSD17B10 Q99714 1/20 0.40
P2RX4 Q99571 1/20 0.39

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
SCHEMBL367373 0.86 TRPM8 (0.70) TRPM8SMN1; SMN2TRPV1EPHX1SERPINE1
SCHEMBL15133477 0.86 TRPM8 (0.70) TRPM8SMN1; SMN2TRPV1EPHX1SERPINE1
SCHEMBL2628643 0.86 TRPM8 (0.70) TRPM8SMN1; SMN2TRPV1EPHX1SERPINE1
SCHEMBL2628762 0.85 TRPM8 (0.62) TRPM8SMN1; SMN2TRPV1EPHX1LMNA
SCHEMBL12835232 0.85 TDP1 (0.49) SMN1; SMN2PDK1PDK2PDK3PDK4
SCHEMBL15133466 0.85 TRPM8 (0.62) TRPM8TRPV1EPHX1LMNAHSD17B10
SCHEMBL10072944 0.84 TRPM8 (0.61) TRPM8SMN1; SMN2TRPV1EPHX1HSD17B10
SCHEMBL2628752 0.84 TRPM8 (0.61) TRPM8SMN1; SMN2TRPV1EPHX1PARP1
SCHEMBL24540443 0.83 TRPM8 (0.47) TRPM8TRPV1EPHX1SERPINE1
SCHEMBL10073491 0.83 TRPM8 (0.73) TRPM8SMN1; SMN2EPHX1P2RX4

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 10/4885SMN1; SMN2 4052/4885TRPV1 7/4885
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 TRPM8 8/4885SMN1; SMN2 3836/4885TRPV1 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.