SCHEMBL5585675

SCHEMBL5585675

CC(C)N(Cc1ccc(C(=O)O)cc1)c1nc(-c2cccc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)c2)cs1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
POLB P06746 1/20 0.53
LIMK2 P53671 1/20 0.46
PHGDH O43175 10/20 0.45
HTT P42858 4/20 0.45
LMNA P02545 3/20 0.45
MAPT P10636 2/20 0.45
XBP1 P17861 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
HPGD P15428 2/20 0.43
TRPM8 Q7Z2W7 1/20 0.39
PTPRB P23467 1/20 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
SCHEMBL5585557 0.91 LIMK2 (0.46) ALDH1A1MEN1KMT2APOLBLIMK2
SCHEMBL5585645 0.89 GCGR (0.43) ALDH1A1MEN1KMT2AHTTMAPT
SCHEMBL5585812 0.83 MEN1 (0.40) MEN1KMT2AHTTSMN1; SMN2TRPM8
SCHEMBL5585916 0.83 TRPM8 (0.41) MEN1KMT2AOPRM1OPRK1TRPM8
SCHEMBL5585665 0.81 HDAC3 (0.46) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5585626 0.81 TRPM8 (0.43) OPRM1OPRK1TRPM8
SCHEMBL5585395 0.79 ALDH1A1 (0.41) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL5585890 0.78 MRE11 (0.38) ALDH1A1MEN1KMT2APOLBHTT
SCHEMBL5585411 0.78 FFAR1 (0.44) ALDH1A1MEN1KMT2APOLBHTT
SCHEMBL5585536 0.76 MAPT (0.51) ALDH1A1MEN1KMT2APOLBPHGDH

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 ALDH1A1 2229/4885MEN1 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.