Sugi Predict

Sugi Predict / Compounds / SCHEMBL5496417

SCHEMBL5496417

SCHEMBL5496417

CCC(C)C[C@H](NC(=O)OC(C)(C)C)C(O)C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA7 P43166 1/20 0.48
▸ KLK5 Q9Y337 2/20 0.41
▸ CTSK P43235 5/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CTSS P25774 2/20 0.39
▸ PSENEN Q9NZ42 3/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ PSEN1 P49768 2/20 0.38
▸ PSEN2 P49810 2/20 0.38
▸ APH1B Q8WW43 2/20 0.38
▸ NCSTN Q92542 2/20 0.38
▸ APH1A Q96BI3 2/20 0.38

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
SCHEMBL10724727 0.87 CA1 (0.55) CA1CA2CA7KLK5CTSK
SCHEMBL741043 0.87 CA1 (0.55) CA1CA2CA7KLK5CTSK
SCHEMBL19618687 0.87 CA1 (0.55) CA1CA2CA7KLK5CTSK
SCHEMBL10724721 0.87 CA1 (0.55) CA1CA2CA7KLK5CTSK
SCHEMBL5564464 0.87 CA1 (0.55) CA1CA2CA7KLK5CTSK
SCHEMBL3893779 0.82 CA1 (0.46) CA1CA2CA7KLK5CTSK
SCHEMBL25008491 0.82 CTSK (0.49) CA1CA2CA7CTSKCYP2D6
SCHEMBL15757399 0.81 CA1 (0.47) CA1CA2CA7KLK5CTSK
SCHEMBL15757401 0.81 CA1 (0.47) CA1CA2CA7KLK5CTSK
SCHEMBL2641383 0.80 CA1 (0.50) CA1CA2CA7KLK5CTSK

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 4 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 disclosed
US-7144901-B2 Oxadiazole derivatives and drugs containing these derivatives as the active ingredient ONO PHARMACEUTICAL CO.,LTD. (JP) 2006-12-05 — — US disclosed
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 disclosed
EP-1234820-A1 OXADIAZOLE DERIVATIVES AND DRUGS CONTAINING THESE DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-08-28 — — 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 (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 CA1 538/4885CA2 1853/4885CA7 1781/4885
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 CA1 739/4885CA2 2018/4885CA7 2347/4885

“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.