SCHEMBL5585536

SCHEMBL5585536

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
ADRB3 P13945 3/20 0.50
GCGR P47871 2/20 0.49
GIPR P48546 2/20 0.49
ADRB2 P07550 2/20 0.47
ADRB1 P08588 2/20 0.47
HDAC3 O15379 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 2/20 0.45
PHGDH O43175 2/20 0.44
PTPRB P23467 1/20 0.44
LMNA P02545 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GHSR Q92847 1/20 0.44
NPSR1 Q6W5P4 3/20 0.43
POLB P06746 2/20 0.43

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
SCHEMBL5585567 0.93 ADRB2 (0.51) ADRB3GCGRGIPRADRB2ADRB1
SCHEMBL5585707 0.86 KMT2A (0.48) MAPTHDAC3HDAC11HDAC8HDAC6
SCHEMBL5585557 0.85 LIMK2 (0.46) MAPTADRB3ADRB2ADRB1MEN1
SCHEMBL5585850 0.79 MEN1 (0.54) MAPTGCGRGIPRMEN1KMT2A
SCHEMBL5585675 0.76 ALDH1A1 (0.53) MAPTMEN1KMT2AALDH1A1PHGDH
SCHEMBL5585238 0.75 RAB9A (0.50) MAPTGCGRGIPRMEN1KMT2A
SCHEMBL5585655 0.75 GCGR (0.49) GCGRGIPRALDH1A1
SCHEMBL3563426 0.74 ALDH1A1 (0.67) MAPTHDAC3HDAC11HDAC8HDAC6
SCHEMBL5585795 0.74 MAPT (0.46) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL5585665 0.74 HDAC3 (0.46) MAPTGCGRGIPRHDAC3HDAC11

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 MAPT 4536/4885ADRB3 968/4885GCGR 317/4885

“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.