SCHEMBL5585567

SCHEMBL5585567

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 8/20 0.51
ADRB1 P08588 8/20 0.51
ADRB3 P13945 8/20 0.51
GCGR P47871 6/20 0.47
GIPR P48546 5/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
SLC6A4 P31645 1/20 0.47
KCNH2 Q12809 1/20 0.47
CACNA1C Q13936 1/20 0.47
KDM1A O60341 1/20 0.45
PPARA Q07869 1/20 0.44
PHGDH O43175 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44

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
SCHEMBL5585536 0.93 MAPT (0.51) ADRB2ADRB1ADRB3GCGRGIPR
SCHEMBL5585707 0.85 KMT2A (0.48) CYP3A4CYP2D6CYP2C9PHGDHHDAC3
SCHEMBL5585557 0.84 LIMK2 (0.46) ADRB2ADRB1ADRB3PHGDHPTPRB
SCHEMBL5585655 0.82 GCGR (0.49) GCGRGIPRL3MBTL1
SCHEMBL5585850 0.78 MEN1 (0.54) GCGRGIPRL3MBTL1PTPRB
SCHEMBL5585521 0.77 GCGR (0.46) GCGRGIPR
SCHEMBL5585510 0.77 PPARD (0.58) PPARA
SCHEMBL5585559 0.76 GCGR (0.46) GCGRGIPR
SCHEMBL5585675 0.76 ALDH1A1 (0.53) PHGDHPTPRB
SCHEMBL5585238 0.74 RAB9A (0.50) GCGRGIPRL3MBTL1PTPRB

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 ADRB2 1631/4885ADRB1 849/4885ADRB3 968/4885

“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.