SCHEMBL5496903

SCHEMBL5496903

CC(C)C[C@@H](CC#N)NC(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.59
CTSS P25774 9/20 0.59
CTSL P07711 2/20 0.59
CTSB P07858 1/20 0.59
AAK1 Q2M2I8 5/20 0.50
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CAPN1 P07384 1/20 0.43

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
SCHEMBL19227630 0.85 CA1 (0.58) CTSKCTSSCTSLCTSBAAK1
SCHEMBL24387779 0.84 CTSK (0.49) CTSKCTSSCTSLCTSBAAK1
SCHEMBL4795008 0.84 CTSS (0.50) CTSKCTSSCTSLCTSBCA1
SCHEMBL5115667 0.84 CTSS (0.57) CTSKCTSSCTSLCTSBCA1
SCHEMBL1722314 0.84 CTSS (0.57) CTSKCTSSCTSLCTSBCA1
SCHEMBL4795003 0.84 CTSS (0.50) CTSKCTSSCTSLCTSBCA1
SCHEMBL16285819 0.82 CTSS (0.50) CTSKCTSSCTSLCTSB
SCHEMBL12602587 0.81 CTSK (0.59) CTSKCTSSCTSLCTSBCA1
SCHEMBL16839646 0.81 SYK (0.48) CTSKCTSSCTSLCTSBAAK1
SCHEMBL31086524 0.81 CYP2D6 (0.50) CTSKCTSSCTSLCTSBAAK1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230406860-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE AMGEN INC. 2023-12-21 US disclosed
EP-4237086-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2023-09-06 EP disclosed
WO-2022093856-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2022-05-05 WO disclosed
WO-2022093856-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2022-05-05 WO disclosed
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-20040204368-A1 Oxadiazole derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-10-14 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 (4 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-20230406860-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE KRAS, NRAS, HRAS CTSK 3605/4885CTSS 3726/4885CTSL 4434/4885
US-20040204368-A1 Oxadiazole derivative compounds and drugs containing these compounds as the active ingredient ACIN1, CASP3, CASP7 CTSK 451/4885CTSS 36/4885CTSL 263/4885
US-20070004642-A1 Oxadiazole derivatives and drugs containing these derivatives as the active ingredient ACIN1, CYCS, CASP7 CTSK 280/4885CTSS 22/4885CTSL 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 CTSK 370/4885CTSS 9/4885CTSL 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.