SCHEMBL5496880

SCHEMBL5496880

CC(C)(CC(=O)OCC1c2ccccc2-c2ccccc21)NCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
FABP5 Q01469 3/20 0.44
FABP7 O15540 2/20 0.44
CASP3 P42574 3/20 0.43
EPHX2 P34913 1/20 0.43
MDM4 O15151 1/20 0.39
TP53 P04637 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL26941528 0.81 KMT2A (0.48) KMT2AFABP5FABP7CASP3EPHX2
SCHEMBL27872882 0.81 KMT2A (0.48) KMT2AFABP5FABP7CASP3EPHX2
SCHEMBL5798927 0.81 KMT2A (0.46) KMT2AFABP5FABP7CASP3EPHX2
SCHEMBL31540857 0.80 KMT2A (0.50) KMT2AFABP5FABP7CASP3EPHX2
SCHEMBL4690511 0.80 KMT2A (0.47) KMT2AFABP5FABP7CASP3EPHX2
SCHEMBL20531437 0.80 KMT2A (0.45) KMT2AFABP5FABP7CASP3EPHX2
SCHEMBL60495 0.79 KMT2A (0.50) KMT2AFABP5FABP7CASP3EPHX2
SCHEMBL2204579 0.79 KMT2A (0.57) KMT2AFABP5FABP7CASP3EPHX2
Hydrochloric Acid SCHEMBL31540856 0.79 KMT2A (0.49) KMT2AFABP5FABP7CASP3EPHX2
SCHEMBL4284636 0.79 KMT2A (0.46) KMT2AFABP5FABP7CASP3EPHX2

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-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-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
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 KMT2A 4305/4885FABP5 2597/4885FABP7 1036/4885
US-20020042376-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE-ced-3 family of cysteine proteases CASP3, IAPP, DPP3 KMT2A 4310/4885FABP5 2640/4885FABP7 1056/4885

“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.