SCHEMBL5585557

SCHEMBL5585557

CC(C)N(Cc1ccc(C(=O)O)cc1)c1nc(-c2ccc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK2 P53671 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 3/20 0.45
POLB P06746 2/20 0.45
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
MAPT P10636 6/20 0.44
LMNA P02545 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.43
ATM Q13315 1/20 0.43
PTPRB P23467 4/20 0.41
KDM4E B2RXH2 2/20 0.41
NPSR1 Q6W5P4 2/20 0.40
PHGDH O43175 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
ADRB2 P07550 5/20 0.39
ADRB1 P08588 5/20 0.39
ADRB3 P13945 5/20 0.39

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
SCHEMBL5585675 0.91 ALDH1A1 (0.53) LIMK2MEN1KMT2AALDH1A1POLB
SCHEMBL5585916 0.88 TRPM8 (0.41) MEN1KMT2AOPRM1OPRK1TRPM8
SCHEMBL5585665 0.88 HDAC3 (0.46) MEN1KMT2AALDH1A1OPRM1OPRK1
SCHEMBL5585626 0.86 TRPM8 (0.43) OPRM1OPRK1TRPM8
SCHEMBL5585536 0.85 MAPT (0.51) MEN1KMT2AALDH1A1POLBOPRK1
SCHEMBL5585567 0.84 ADRB2 (0.51) PTPRBPHGDHADRB2ADRB1ADRB3
SCHEMBL5585411 0.83 FFAR1 (0.44) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL5585890 0.83 MRE11 (0.38) MEN1KMT2AALDH1A1POLBOPRM1
SCHEMBL5585707 0.83 KMT2A (0.48) MEN1KMT2AMAPTLMNATP53
SCHEMBL5585645 0.81 GCGR (0.43) MEN1KMT2AALDH1A1OPRM1OPRK1

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 LIMK2 3159/4885MEN1 3299/4885KMT2A 2589/4885

“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.