SCHEMBL5489915

SCHEMBL5489915

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

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.39
CYP2D6 P10635 1/20 0.39
SCN9A Q15858 3/20 0.37
CTSB P07858 2/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
CAPN1 P07384 2/20 0.35
MMP1 P03956 1/20 0.34
SLC7A5 Q01650 1/20 0.34
MLYCD O95822 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
SCHEMBL7406391 0.84 CTSB (0.44) CTSKCYP2D6CTSBCTSLCTSS
SCHEMBL30831331 0.83 CTSK (0.37) CTSKSCN9ACTSBCTSLCTSS
SCHEMBL4425146 0.80 SLC7A5 (0.44) CTSBCAPN1SLC7A5
SCHEMBL7409805 0.80 CTSB (0.46) CTSKCYP2D6CTSBCTSLCTSS
SCHEMBL31199022 0.80 SLC7A5 (0.42) CTSKCYP2D6SCN9ACTSBCTSL
SCHEMBL8817388 0.79 CAPN1 (0.46) CTSKSCN9ACTSBCAPN1SLC7A5
SCHEMBL3487246 0.79 CAPN1 (0.46) CTSKSCN9ACTSBCAPN1SLC7A5
SCHEMBL2475740 0.79 CAPN1 (0.46) CTSKSCN9ACTSBCAPN1SLC7A5
SCHEMBL16565969 0.79 CAPN1 (0.46) CTSKSCN9ACTSBCAPN1SLC7A5
SCHEMBL9572309 0.79 CAPN1 (0.46) CTSKSCN9ACTSBCAPN1SLC7A5

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-7157430-B2 (Substituted)acyl dipeptidyl inhibitors of the ICE/CED-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. (US) 2007-01-02 US disclosed
US-20040259804-A1 (Substituted)Acyl dipeptidyl inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. 2004-12-23 US disclosed
EP-1480999-A2 (SUBSTITUTED)ACYL DIPEPTIDYL INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES Idun Pharmaceuticals (US) 2004-12-01 EP disclosed
US-20030232788-A1 (Substituted)acyl dipeptidyl inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. 2003-12-18 US disclosed
WO-2003072528-A2 (SUBSTITUTED)ACYL DIPEPTIDYL INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS, INC. (US) 2003-09-04 WO disclosed
US-20020091089-A1 (Substituted)acyl dipeptidyl inhibitors of the ICE/ced-3 family of cysteine proteases KARANEWSKY DONALD S (US) 2002-07-11 US disclosed
EP-1123272-A1 (SUBSTITUTED)ACYL DIPEPTIDYL INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES Idun Pharmaceuticals, Inc. (US) 2001-08-16 EP disclosed
US-6242422-B1 (Substituted)Acyl dipeptidyl inhibitors of the ice/ced-3 family of cysteine proteases IDUN PHARMACUETICALS, INC. 2001-06-05 US disclosed
WO-2000023421-A1 (SUBSTITUTED)ACYL DIPEPTIDYL INHIBITORS OF THE ICE/ced-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS, INC. (US) 2000-04-27 WO 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 (3 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-20030232788-A1 (Substituted)acyl dipeptidyl inhibitors of the ICE/ced-3 family of cysteine proteases DPP3, IAPP, CASP3 CTSK 473/4885CYP2D6 3908/4885SCN9A 3651/4885
US-20020091089-A1 (Substituted)acyl dipeptidyl inhibitors of the ICE/ced-3 family of cysteine proteases DPP3, IAPP, CASP3 CTSK 473/4885CYP2D6 3908/4885SCN9A 3651/4885
US-20040259804-A1 (Substituted)Acyl dipeptidyl inhibitors of the ICE/ced-3 family of cysteine proteases DPP3, IAPP, CASP3 CTSK 473/4885CYP2D6 3908/4885SCN9A 3651/4885

“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.