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SCHEMBL5489206

SCHEMBL5489206

CC(C)CC(NC(=O)c1ccccc1CN(C)C)C(=O)c1nn(CC(C)C)c(=O)o1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ ITGB1 P05556 1/20 0.35
▸ ITGA4 P13612 1/20 0.35
▸ ITGB7 P26010 1/20 0.35
▸ TAS1R3 Q7RTX0 2/20 0.34
▸ TAS1R1 Q7RTX1 2/20 0.34
▸ CLPP Q16740 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ CCR1 P32246 1/20 0.33
▸ CTSB P07858 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ KCNA5 P22460 1/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ CTSL P07711 1/20 0.32
▸ UTS2R Q9UKP6 1/20 0.32

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
SCHEMBL14597625 0.85 TACR1 (0.38) CASP1ALDH1A1SMN1; SMN2
SCHEMBL14597695 0.85 TACR1 (0.38) CASP1ALDH1A1SMN1; SMN2
SCHEMBL5494500 0.84 CLPP (0.50) GAACLPPKCNA5MEN1KMT2A
SCHEMBL5489668 0.83 TAS1R3 (0.39) TAS1R3TAS1R1CTSBCTSL
SCHEMBL5489783 0.82 CTSL (0.46) TDP1CCR1CTSBALDH1A1RAB9A
SCHEMBL5495895 0.82 CTSB (0.40) TAS1R3TAS1R1CTSBCTSL
SCHEMBL5493134 0.81 KMT2A (0.45) CTSBNPC1MEN1ALDH1A1KMT2A
SCHEMBL5494997 0.79 CTSK (0.49) GAACASP1KCNA5NPC1MEN1
SCHEMBL14597665 0.78 TACR1 (0.38) CNR1
SCHEMBL14597642 0.75 ACKR3 (0.35) —

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 GAA 4656/4885TDP1 2730/4885ITGB1 1410/4885
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 GAA 4775/4885TDP1 2249/4885ITGB1 1773/4885

“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.