SCHEMBL5496486

SCHEMBL5496486

CC(=O)Nc1ccc(C(C)(C)C)c(NC(=O)C(=O)N[C@@H](C)C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 8/20 0.43
CASP6 P55212 7/20 0.43
CASP8 Q14790 7/20 0.43
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.37
ESRRA P11474 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL5492615 0.88 RECQL (0.44) CASP3CASP6CASP8ALDH1A1GAA
SCHEMBL14582960 0.83 ALDH1A1 (0.49) ALDH1A1GAATDP1SMN1; SMN2KDM4E
SCHEMBL14582965 0.82 CASP3 (0.48) CASP3CASP6CASP8
SCHEMBL7218067 0.81 ALDH1A1 (0.56) ALDH1A1GAATDP1SMN1; SMN2KDM4E
SCHEMBL5497665 0.79 ALDH1A1 (0.57) CASP3CASP6CASP8ALDH1A1GAA
SCHEMBL22390739 0.79 ALDH1A1 (0.57) CASP3CASP6CASP8ALDH1A1GAA
SCHEMBL5498884 0.78 ALDH1A1 (0.46) ALDH1A1GAATDP1SMN1; SMN2KDM4E
SCHEMBL5495935 0.77 CASP3 (0.41) CASP3CASP6CASP8
SCHEMBL27586628 0.76 CASP3 (0.42) CASP3CASP6CASP8TDP1MAPT
SCHEMBL5495941 0.75 CASP3 (0.34) CASP3CASP6CASP8ALDH1A1GAA

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 6 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-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-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.