SCHEMBL5585510

SCHEMBL5585510

Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc(-c2csc(N(Cc3ccc(C(=O)O)cc3)C(C)C)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 13/20 0.58
PPARA Q07869 8/20 0.58
PPARG P37231 5/20 0.58
FFAR1 O14842 11/20 0.55
CHRM5 P08912 1/20 0.49
SLC6A3 Q01959 1/20 0.49

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
SCHEMBL5585655 0.90 GCGR (0.49) PPARD
SCHEMBL5585732 0.80 KMT2A (0.43) PPARDFFAR1
SCHEMBL5585686 0.77 KMT2A (0.47) FFAR1
SCHEMBL5585567 0.77 ADRB2 (0.51) PPARA
SCHEMBL6243594 0.75 PPARD (0.75) PPARDPPARAPPARGFFAR1CHRM5
SCHEMBL6237379 0.75 PPARD (1.00) PPARDPPARAPPARGFFAR1CHRM5
SCHEMBL5585411 0.74 FFAR1 (0.44) FFAR1
SCHEMBL1553175 0.74 PPARD (0.73) PPARDPPARAPPARGFFAR1CHRM5
SCHEMBL1553892 0.74 PPARD (0.73) PPARDPPARAPPARGFFAR1CHRM5
SCHEMBL27671035 0.74 PPARD (0.63) PPARDPPARAPPARGFFAR1CHRM5

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 PPARD 1925/4885PPARA 1524/4885PPARG 1381/4885

“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.