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SCHEMBL5495941

SCHEMBL5495941

CC(=O)Nc1ccc(C(C)(C)C)c(NC(=O)C(=O)NC(C)C(=O)N(O)C2COC(=O)C2)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 8/20 0.34
▸ CASP6 P55212 7/20 0.34
▸ CASP8 Q14790 7/20 0.34
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ MAP2K1 Q02750 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL5492413 0.87 CASP3 (0.35) CASP3CASP6CASP8PTGS1PTGS2
SCHEMBL5496486 0.75 CASP3 (0.43) CASP3CASP6CASP8ALDH1A1GAA
SCHEMBL5495935 0.75 CASP3 (0.41) CASP3CASP6CASP8
SCHEMBL5492615 0.74 RECQL (0.44) CASP3CASP6CASP8NPSR1ALDH1A1
SCHEMBL6054125 0.72 CASP3 (0.41) CASP3CASP6CASP8ALDH1A1TDP1
SCHEMBL14582966 0.72 CASP3 (0.38) CASP3CASP6CASP8
SCHEMBL5492407 0.72 CASP3 (0.38) CASP3CASP6CASP8
SCHEMBL14582968 0.72 CASP3 (0.38) CASP3CASP6CASP8
SCHEMBL5492525 0.70 CASP3 (0.41) CASP3CASP6CASP8ALDH1A1GAA
SCHEMBL7218067 0.68 ALDH1A1 (0.56) PTGS1PTGS2CYP1A2CYP2C19NPSR1

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-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
CN-1525978-A C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases 伊邓药品公司 2004-09-01 — — CN 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 CASP3 1/4885CASP6 22/4885CASP8 68/4885
US-20020042376-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE-ced-3 family of cysteine proteases CASP3, IAPP, DPP3 CASP3 1/4885CASP6 28/4885CASP8 76/4885

“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.