SCHEMBL4043403

SCHEMBL4043403

CC(C)C[C@H](OCc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.56
SLC1A3 P43003 2/20 0.50
SLC1A2 P43004 2/20 0.50
SLC1A1 P43005 2/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
SRR Q9GZT4 2/20 0.46
CTSK P43235 2/20 0.46
ALDH1A1 P00352 1/20 0.46
PPARG P37231 4/20 0.46
PPARA Q07869 4/20 0.46
PPARD Q03181 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
SCHEMBL4043400 1.00 PSMB5 (0.56) PSMB5SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL5870279 0.91 PPARG (0.55) PSMB5CYP1A2CYP2C9CYP2C19SRR
SCHEMBL6061437 0.89 SLC1A3 (0.48) PSMB5SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL8496632 0.85 PSMB5 (0.55) PSMB5CTSKALDH1A1
SCHEMBL7541726 0.85 PPARG (0.63) PSMB5ALDH1A1PPARGPPARA
SCHEMBL7541731 0.85 PPARG (0.63) PSMB5ALDH1A1PPARGPPARA
SCHEMBL4704738 0.85 MME (0.47) PSMB5CTSKPPARGPPARAPPARD
SCHEMBL7545793 0.84 LDHA (0.53) CTSKPPARGPPARAPPARD
SCHEMBL7545786 0.84 LDHA (0.53) CTSKPPARGPPARAPPARD
SCHEMBL4449480 0.83 NR4A2 (0.47) PSMB5MEN1KMT2APPARGPPARA

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5163221-A None JP disclosed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-7132449-B2 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LIMITED (GB) 2006-11-07 US disclosed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
US-20040127424-A1 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPUTICS LIMITED (GB) 2004-07-01 US disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO disclosed
EP-1358174-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-05 EP disclosed
WO-2002057248-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 WO disclosed
EP-1209147-A1 CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2002-05-29 EP disclosed
US-6153171-A Methods for identifying compounds effective for treating neurodegenerative disorders and for monitoring the therapeutic intervention therefor SIBIA NEUROSCIENCES, INC. (US) 2000-11-28 US disclosed
US-5962419-A NERVOUS SYSTEM DISORDERS; BRAIN DISORDERS SIBIA NEUROSCIENCES, INC. (US) 1999-10-05 US disclosed
US-5872101-A Methods of treating neurodegenerative disorders using protease inhibitors SIBIA NEUROSCIENCES, INC. (US) 1999-02-16 US disclosed
US-5863902-A Methods of treating neurodegenerative disorders using protease inhibitors SIBIA NEUROSCIENCES, INC. (US) 1999-01-26 US disclosed
US-5804560-A MODULATES PROCESSING OF AMYLOID PRECURSOR PROTEIN SIBIA NEUROSCIENCES, INC. (US) 1998-09-08 US disclosed
US-5714471-A USEFUL IN INDICATING NEURODEGENERATIVE DISORDERS CHARACTERIZED BY DEPOSITION OF CEREBRAL AMYLOID SIBIA NEUROSCIENCES, INC. (US) 1998-02-03 US disclosed
EP-0800528-A1 PEPTIDE AND PEPTIDE ANALOG PROTEASE INHIBITORS Sibia Neurosciences, Inc. (US) 1997-10-15 EP disclosed
WO-1996020725-A2 PEPTIDE, PEPTIDE ANALOG AND AMINO ACID ANALOG PROTEASE INHIBITORS SIBIA NEUROSCIENCES, INC. (US) 1996-07-11 WO disclosed
WO-1996020949-A1 PEPTIDE AND PEPTIDE ANALOG PROTEASE INHIBITORS SIBIA NEUROSCIENCES, INC. (US) 1996-07-11 WO disclosed
JP-H05163221-A OXY ACID DERIVATIVE FUJIREBIO INC 1993-06-29 JP disclosed
EP-0520336-A2 Aldehyde derivatives and their use as calpain inhibitors FUJIREBIO Inc. (JP) 1992-12-30 EP 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 (1 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-20040127424-A1 Inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 PSMB5 180/4885SLC1A3 4132/4885SLC1A2 4234/4885

“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.