SCHEMBL5585890

SCHEMBL5585890

CC(C)N(Cc1ccc(C(=O)O)cc1)c1nc(-c2ccc(SCc3ccc(C4CCCCC4)cc3)cc2)cs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRE11 P49959 1/20 0.38
CPB1 P15086 1/20 0.37
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
STAT3 P40763 3/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FFAR1 O14842 1/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL5585665 0.85 HDAC3 (0.46) MRE11OPRM1OPRK1KMT2AMEN1
SCHEMBL5585411 0.85 FFAR1 (0.44) TRPM8KMT2AMEN1FFAR1KDM4E
SCHEMBL5585916 0.85 TRPM8 (0.41) MRE11CPB1STAT3TRPM8OPRM1
SCHEMBL5585557 0.83 LIMK2 (0.46) LMNATRPM8OPRM1OPRK1KMT2A
SCHEMBL5585626 0.83 TRPM8 (0.43) STAT3TRPM8OPRM1OPRK1
SCHEMBL5585645 0.80 GCGR (0.43) OPRM1OPRK1KMT2AMEN1KDM4E
SCHEMBL5585812 0.80 MEN1 (0.40) CPB1STAT3TRPM8KMT2AMEN1
SCHEMBL5585255 0.80 TRPM8 (0.47) CPB1ITGB3ITGA2BLMNATRPM8
SCHEMBL14601453 0.78 ALDH1A1 (0.42) CPB1ITGB3ITGA2BLMNAKMT2A
SCHEMBL5585675 0.78 ALDH1A1 (0.53) LMNAHPGDTRPM8OPRM1OPRK1

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 MRE11 4833/4885CPB1 1778/4885ITGB3 4100/4885

“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.