SCHEMBL2628686

SCHEMBL2628686

CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.60
TRPM8 Q7Z2W7 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.56
NAMPT P43490 1/20 0.55
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
GAA P10253 2/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
ALOX12 P18054 1/20 0.52
HTT P42858 1/20 0.52
USP2 O75604 1/20 0.52
MAPK1 P28482 1/20 0.50

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
SCHEMBL2628824 0.90 TRPM8 (0.61) KMT2ATRPM8ALDH1A1MEN1LMNA
SCHEMBL10073861 0.84 TRPM8 (0.64) KMT2ATRPM8ALDH1A1MEN1SMN1; SMN2
SCHEMBL663622 0.84 TRPM8 (0.64) KMT2ATRPM8ALDH1A1MEN1SMN1; SMN2
SCHEMBL369205 0.81 TRPM8 (0.67) KMT2ATRPM8ALDH1A1SMN1; SMN2GAA
SCHEMBL2628642 0.79 ALDH1A1 (0.59) KMT2ATRPM8L3MBTL1ALDH1A1MEN1
SCHEMBL14084895 0.78 TRPM8 (0.70) TRPM8ALDH1A1SMN1; SMN2GAAHTT
SCHEMBL2628672 0.77 TRPM8 (0.75) KMT2ATRPM8L3MBTL1ALDH1A1MEN1
SCHEMBL10073486 0.77 TRPM8 (0.75) KMT2ATRPM8ALDH1A1MEN1SMN1; SMN2
SCHEMBL4817319 0.77 TRPM8 (0.75) KMT2ATRPM8L3MBTL1ALDH1A1MEN1
SCHEMBL4820732 0.77 TRPM8 (0.75) KMT2ATRPM8ALDH1A1MEN1SMN1; SMN2

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 6 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-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 KMT2A 4529/4885TRPM8 10/4885L3MBTL1 1505/4885
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 KMT2A 4664/4885TRPM8 8/4885L3MBTL1 1910/4885

“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.