SCHEMBL2628781

SCHEMBL2628781

COc1ccc(NC(=O)[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c(OC)c1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.74
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
TRPV1 Q8NER1 1/20 0.50
PPP1CA P62136 1/20 0.49
ALDH1A1 P00352 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
MAPT P10636 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
LPAR1 Q92633 1/20 0.46

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
SCHEMBL10073868 0.90 TRPM8 (0.73) TRPM8SMN1; SMN2MEN1KMT2ATRPV1
SCHEMBL14564501 0.90 TRPM8 (0.73) TRPM8SMN1; SMN2MEN1KMT2ATRPV1
SCHEMBL5442957 0.90 TRPM8 (0.73) TRPM8SMN1; SMN2MEN1KMT2ATRPV1
SCHEMBL891210 0.89 TRPM8 (0.74) TRPM8SMN1; SMN2MEN1KMT2ATRPV1
SCHEMBL10193802 0.89 TRPM8 (0.74) TRPM8SMN1; SMN2MEN1KMT2ATRPV1
SCHEMBL14564499 0.89 TRPM8 (0.71) TRPM8SMN1; SMN2MEN1KMT2ATRPV1
SCHEMBL13220051 0.87 TRPM8 (0.69) TRPM8SMN1; SMN2MEN1KMT2ATRPV1
SCHEMBL5439826 0.87 TRPM8 (0.69) TRPM8SMN1; SMN2MEN1KMT2ATRPV1
SCHEMBL10072942 0.86 TRPM8 (0.64) TRPM8SMN1; SMN2TAS1R3TAS1R1
SCHEMBL4963208 0.86 TRPM8 (0.64) TRPM8SMN1; SMN2TAS1R3TAS1R1

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 7 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-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 4052/4885MEN1 2360/4885
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 TRPM8 8/4885SMN1; SMN2 3836/4885MEN1 2516/4885

“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.