SCHEMBL2628702

SCHEMBL2628702

CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)NCCc1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
HSD17B10 Q99714 2/20 0.55
CASP1 P29466 1/20 0.55
TRPV1 Q8NER1 2/20 0.51
TRPM8 Q7Z2W7 3/20 0.48
GAA P10253 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
EPHX1 P07099 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL2628667 0.89 TRPM8 (0.50) ALDH1A1TRPM8GAAMEN1KMT2A
SCHEMBL3392306 0.89 TRPM8 (0.49) ALDH1A1HSD17B10CASP1TRPV1TRPM8
SCHEMBL2628617 0.89 TRPM8 (0.49) ALDH1A1HSD17B10CASP1TRPV1TRPM8
SCHEMBL24540473 0.89 TRPM8 (0.49) ALDH1A1HSD17B10CASP1TRPV1TRPM8
SCHEMBL2628712 0.89 TRPM8 (0.50) ALDH1A1HSD17B10CASP1TRPV1TRPM8
SCHEMBL24540522 0.89 TRPM8 (0.50) ALDH1A1TRPM8GAAMEN1KMT2A
SCHEMBL2628656 0.88 TRPM8 (0.48) ALDH1A1HSD17B10CASP1TRPV1TRPM8
SCHEMBL14664178 0.88 TAAR1 (0.55) ALDH1A1TRPM8MEN1KMT2AEPHX1
SCHEMBL2628669 0.88 TRPM8 (0.48) ALDH1A1HSD17B10CASP1TRPM8GAA
SCHEMBL1629039 0.88 TAAR1 (0.54) TRPM8GAAMEN1KMT2ANPSR1

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 ALDH1A1 4716/4885HSD17B10 3885/4885CASP1 1157/4885
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 ALDH1A1 4742/4885HSD17B10 3871/4885CASP1 847/4885

“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.