SCHEMBL5585916

SCHEMBL5585916

CC(C)N(Cc1ccc(C(=O)O)cc1)c1nc(-c2ccc(S(=O)(=O)Cc3ccc(C4CCCCC4)cc3)cc2)cs1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
AVPR1B P47901 1/20 0.39
PTGES O14684 2/20 0.39
STAT3 P40763 5/20 0.38
RORC P51449 2/20 0.38
MRE11 P49959 1/20 0.38
CPB1 P15086 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
STAT1 P42224 1/20 0.36
STAT5B P51692 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.36

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
SCHEMBL5585626 0.88 TRPM8 (0.43) TRPM8OPRM1OPRK1AVPR1BPTGES
SCHEMBL5585557 0.88 LIMK2 (0.46) TRPM8OPRM1OPRK1MEN1KMT2A
SCHEMBL5585411 0.85 FFAR1 (0.44) TRPM8AVPR1BPTGESMEN1KMT2A
SCHEMBL5585890 0.85 MRE11 (0.38) TRPM8OPRM1OPRK1STAT3MRE11
SCHEMBL5585665 0.85 HDAC3 (0.46) OPRM1OPRK1MRE11MEN1KMT2A
SCHEMBL5585675 0.83 ALDH1A1 (0.53) TRPM8OPRM1OPRK1MEN1KMT2A
SCHEMBL5585645 0.80 GCGR (0.43) OPRM1OPRK1MEN1KMT2A
SCHEMBL5585812 0.80 MEN1 (0.40) TRPM8PTGESSTAT3CPB1TSHR
SCHEMBL5585255 0.80 TRPM8 (0.47) TRPM8AVPR1BCPB1MEN1KMT2A
SCHEMBL14601453 0.78 ALDH1A1 (0.42) AVPR1BPTGESCPB1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7163952-B2 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2007-01-16 US disclosed
US-7163952-B2 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2007-01-16 US disclosed
US-7163952-B2 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2007-01-16 US disclosed
US-20050065196-A1 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-03-24 US disclosed
EP-1452530-A1 AZOLE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-09-01 EP 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-20050065196-A1 Azole compound and medicinal use thereof PTPN7, PTPN1, PTPN5 TRPM8 1838/4885OPRM1 2373/4885OPRK1 3618/4885

“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.