Sugi Predict

Sugi Predict / Compounds / SCHEMBL5489668

SCHEMBL5489668

SCHEMBL5489668

CC(C)CC(NC(=O)c1ccc(CN(C)C)cc1)C(=O)c1nn(CC(C)C)c(=O)o1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 5/20 0.39
▸ TAS1R1 Q7RTX1 5/20 0.39
▸ CTSB P07858 3/20 0.38
▸ HDAC1 Q13547 6/20 0.37
▸ ROCK2 O75116 1/20 0.36
▸ CA2 P00918 2/20 0.35
▸ CA1 P00915 1/20 0.35
▸ HDAC8 Q9BY41 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ NCOR2 Q9Y618 1/20 0.35
▸ CTSL P07711 1/20 0.35
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ PTGER1 P34995 2/20 0.35

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
SCHEMBL5495895 0.89 CTSB (0.40) TAS1R3TAS1R1CTSBROCK2CTSL
SCHEMBL5489783 0.86 CTSL (0.46) CTSBCA2CA1CTSLCTSS
SCHEMBL14597617 0.85 TACR1 (0.36) HDAC1
SCHEMBL5489206 0.83 GAA (0.37) TAS1R3TAS1R1CTSBCTSL
SCHEMBL5489165 0.81 CTSS (0.50) TAS1R3TAS1R1HDAC1HDAC3HDAC2
SCHEMBL14597646 0.77 TACR1 (0.35) —
SCHEMBL5493134 0.77 KMT2A (0.45) CTSBCTSLCTSSCTSK
SCHEMBL14597623 0.76 TACR1 (0.36) PTGER1
SCHEMBL14597365 0.75 MEN1 (0.30) —
SCHEMBL5495812 0.75 GPR132 (0.52) CTSK

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 TAS1R3 3017/4885TAS1R1 2592/4885CTSB 231/4885
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 TAS1R3 3578/4885TAS1R1 2898/4885CTSB 359/4885

“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.