SCHEMBL5497654

SCHEMBL5497654

CON(C)C(=O)C(CC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.50
BTK Q06187 1/20 0.50
SYK P43405 1/20 0.50
CTSK P43235 8/20 0.48
CTSL P07711 5/20 0.48
CTSB P07858 5/20 0.48
CTSS P25774 5/20 0.48
KLK7 P49862 1/20 0.46
KLK5 Q9Y337 1/20 0.46
CASP1 P29466 3/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.46
KYNU Q16719 1/20 0.45
PPARA Q07869 1/20 0.45

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
SCHEMBL4425862 1.00 JAK3 (0.50) JAK3BTKSYKCTSKCTSL
SCHEMBL30428666 0.90 SYK (0.53) SYKCTSKCTSLCTSBCTSS
SCHEMBL13724915 0.86 CASP1 (0.57) CTSKCTSLCTSBCTSSCASP1
SCHEMBL13724913 0.86 CASP1 (0.57) CTSKCTSLCTSBCTSSCASP1
SCHEMBL19694832 0.86 KYNU (0.56) SYKCTSKCTSLCTSBCTSS
SCHEMBL4256075 0.86 KYNU (0.56) SYKCTSKCTSLCTSBCTSS
SCHEMBL19694834 0.86 KYNU (0.56) SYKCTSKCTSLCTSBCTSS
SCHEMBL15671089 0.86 JAK3 (0.55) JAK3BTKSYK
SCHEMBL15671091 0.86 JAK3 (0.55) JAK3BTKSYK
SCHEMBL2775895 0.85 PPARA (0.57) SYKCTSKCTSLCTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183260-B2 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. (US) 2007-02-27 US disclosed
US-7053056-B2 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. (US) 2006-05-30 US disclosed
US-20050020504-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. (US) 2005-01-27 US disclosed
EP-1351975-A2 C-TERMINAL MODIFIED OXAMYL DIPEPTIDES AS INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES Idun Pharmaceuticals, Inc. (US) 2003-10-15 EP disclosed
WO-2002076968-A1 MALONATES AS INHIBITORS OF THE ICE/CED-6 FAMILY OF CYSTEINE PROTEASES NOVARTIS AG (CH) 2002-10-03 WO disclosed
WO-2002057298-A2 C-TERMINAL MODIFIED OXAMYL DIPEPTIDES AS INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS, INC. (US) 2002-07-25 WO disclosed
WO-2002034751-A1 HEXAHYDRO-4-OXOAZEPINO[3,2,1-HI]INDOLES NOVARTIS AG (CH) 2002-05-02 WO disclosed
US-20020042376-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE-ced-3 family of cysteine proteases CONATUS PHARMACEUTICALS, INC. 2002-04-11 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-20050020504-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases CASP3, DPP3, IAPP JAK3 1387/4885BTK 2466/4885SYK 3037/4885
US-20020042376-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE-ced-3 family of cysteine proteases CASP3, IAPP, DPP3 JAK3 1457/4885BTK 2606/4885SYK 3174/4885

“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.