SCHEMBL5495895

SCHEMBL5495895

CC(C)CC(NC(=O)c1cccc(CN(C)C)c1)C(=O)c1nn(CC(C)C)c(=O)o1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.40
PTGER1 P34995 1/20 0.38
CTSL P07711 5/20 0.36
ROCK2 O75116 3/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PRSS1 P07477 1/20 0.36
ABHD6 Q9BV23 1/20 0.36
FOLH1 Q04609 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
TAS1R3 Q7RTX0 5/20 0.35
TAS1R1 Q7RTX1 5/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL5489668 0.89 TAS1R3 (0.39) CTSBPTGER1CTSLROCK2CTSS
SCHEMBL14597623 0.86 TACR1 (0.36) PTGER1FOLH1
SCHEMBL5489783 0.85 CTSL (0.46) CTSBCTSLCTSSCTSK
SCHEMBL5495812 0.83 GPR132 (0.52) CTSK
SCHEMBL5489206 0.82 GAA (0.37) CTSBCTSLTAS1R3TAS1R1
SCHEMBL14597664 0.78 TACR1 (0.35) PTGER1
SCHEMBL5489165 0.78 CTSS (0.50) CTSLCTSSCTSKTAS1R3TAS1R1
SCHEMBL5493134 0.76 KMT2A (0.45) CTSBCTSLCTSSCTSK
SCHEMBL14597617 0.75 TACR1 (0.36) F10
SCHEMBL5491657 0.75 CTSK (0.53) CTSBCTSLCTSSCTSK

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 CTSB 231/4885PTGER1 1578/4885CTSL 302/4885
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 CTSB 359/4885PTGER1 449/4885CTSL 72/4885

“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.