SCHEMBL5492525

SCHEMBL5492525

CC(NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C(=O)N(OCc1ccccc1)C1COC(=O)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 13/20 0.41
CASP6 P55212 10/20 0.41
CASP8 Q14790 10/20 0.41
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 2/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
ALOX12 P18054 1/20 0.33
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
EPHX2 P34913 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32

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
SCHEMBL6054142 0.81 CASP3 (0.42) CASP3CASP6CASP8L3MBTL1ALDH1A1
SCHEMBL5492413 0.78 CASP3 (0.35) CASP3CASP6CASP8
SCHEMBL5492520 0.73 CASP3 (0.48) CASP3CASP6CASP8ALDH1A1CASP1
SCHEMBL14582931 0.73 CASP3 (0.48) CASP3CASP6CASP8ALDH1A1CASP1
SCHEMBL5495941 0.70 CASP3 (0.34) CASP3CASP6CASP8ALDH1A1GAA
SCHEMBL22390739 0.69 ALDH1A1 (0.57) CASP3CASP6CASP8ALDH1A1POLB
SCHEMBL5497665 0.69 ALDH1A1 (0.57) CASP3CASP6CASP8ALDH1A1POLB
SCHEMBL3469548 0.68 ACE (0.46)
SCHEMBL3470255 0.67 CTSL (0.45)
SCHEMBL7111386 0.67 ALDH1A1 (0.38) CASP3CASP6CASP8ALDH1A1CASP1

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-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 claimed
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
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.