Sugi Predict

Sugi Predict / Compounds / SCHEMBL5494500

SCHEMBL5494500

SCHEMBL5494500

CC(C)C[C@H](NC(=O)c1ccccc1-c1ccccc1)C(=O)c1nn(CC(C)C)c(=O)o1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CLPP Q16740 2/20 0.50
▸ GAA P10253 1/20 0.42
▸ FNTA P49354 6/20 0.41
▸ FNTB P49356 6/20 0.41
▸ PGGT1B P53609 6/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TACR2 P21452 1/20 0.37
▸ KCNA5 P22460 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ CHRNB2 P17787 2/20 0.36
▸ CHRNB4 P30926 2/20 0.36
▸ CHRNA3 P32297 2/20 0.36
▸ CHRNA4 P43681 2/20 0.36

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
SCHEMBL5489783 0.87 CTSL (0.46) —
SCHEMBL5493134 0.85 KMT2A (0.45) MEN1KMT2A
SCHEMBL5489206 0.84 GAA (0.37) CLPPGAAMEN1KMT2AKCNA5
SCHEMBL5493122 0.78 CASP1 (0.48) CNR2
SCHEMBL14597548 0.78 CASP1 (0.48) CNR2
SCHEMBL5489165 0.78 CTSS (0.50) GAA
SCHEMBL5487703 0.77 CTSL (0.43) MEN1KMT2A
SCHEMBL14597365 0.76 MEN1 (0.30) MEN1KMT2A
SCHEMBL5495812 0.76 GPR132 (0.52) —
SCHEMBL5489668 0.76 TAS1R3 (0.39) —

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-20070004642-A1 Oxadiazole derivatives and drugs containing these derivatives as the active ingredient ONO PHARMACEUTICAL CO., LTD. 2007-01-04 — — US claimed
US-20030166573-A1 Such as (2S)-N-((2S)-4-methyl-1-(5-(1-methylethylthio)1,3,4-oxadiazol-2-yl)-1-oxo-2 -pentyl)-2-benzyloxycarbonylamino-4-methylpentanamide for inhibition of cysteine proteases; antiinflammatory agents ONO PHARMACEUTICAL CO., LTD. (JP) 2003-09-04 — — US claimed
EP-1234820-A1 OXADIAZOLE DERIVATIVES AND DRUGS CONTAINING THESE DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-08-28 — — EP claimed
US-20070004642-A1 Oxadiazole derivatives and drugs containing these derivatives as the active ingredient ONO PHARMACEUTICAL CO., LTD. 2007-01-04 — — US disclosed
US-20070004642-A1 Oxadiazole derivatives and drugs containing these derivatives as the active ingredient ONO PHARMACEUTICAL CO., LTD. 2007-01-04 — — US 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 (2 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-20070004642-A1 Oxadiazole derivatives and drugs containing these derivatives as the active ingredient ACIN1, CYCS, CASP7 CLPP 1570/4885GAA 4656/4885FNTA 4873/4885
US-20030166573-A1 Such as (2S)-N-((2S)-4-methyl-1-(5-(1-methylethylthio)1,3,4-oxadiazol-2-yl)-1-oxo-2 -pentyl)-2-benzyloxycarbonylamino-4-methylpentanamide for inhibition of cysteine proteases; antiinflammatory agents ACIN1, CASP7, ASNS CLPP 1640/4885GAA 4775/4885FNTA 4510/4885

“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.