SCHEMBL7033261

SCHEMBL7033261

COc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.52
PPARA Q07869 1/20 0.52
CACNA1B Q00975 2/20 0.52
JAK3 P52333 1/20 0.51
BTK Q06187 1/20 0.51
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
HDAC8 Q9BY41 1/20 0.48
CTSS P25774 6/20 0.47
CTSK P43235 5/20 0.47
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
MMP1 P03956 1/20 0.46
ACE P12821 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
ABCB1 P08183 1/20 0.44
BCL2 P10415 1/20 0.44
ITGA4 P13612 1/20 0.44
ITGB7 P26010 1/20 0.44

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
SCHEMBL7033260 1.00 PPARG (0.52) PPARGPPARACACNA1BJAK3BTK
SCHEMBL20028772 0.92 ABCB1 (0.52) PPARGPPARACACNA1BJAK3BTK
SCHEMBL15275069 0.91 JAK3 (0.49) PPARGPPARACACNA1BJAK3BTK
SCHEMBL9963893 0.89 CTSS (0.60) PPARAJAK3BTKITGB3ITGA2B
SCHEMBL740864 0.88 CTSS (0.60) CACNA1BJAK3BTKITGB3ITGA2B
SCHEMBL6345086 0.88 JAK3 (0.51) PPARGPPARACACNA1BJAK3BTK
SCHEMBL3989315 0.88 CTSS (0.60) JAK3BTKITGB3ITGA2BHDAC8
SCHEMBL13977456 0.88 CTSS (0.60) CACNA1BJAK3BTKITGB3ITGA2B
SCHEMBL740863 0.88 CTSS (0.60) CACNA1BJAK3BTKITGB3ITGA2B
SCHEMBL268923 0.88 JAK3 (0.51) PPARGPPARACACNA1BJAK3BTK

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002048097-A9 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF PARASITIC INFECTIONS CORVAS INT INC (US) 2003-05-08 WO disclosed
US-20020107266-A1 Compounds, compositions and methods for treatment of parasitic infections DENDREON CORPORATION 2002-08-08 US disclosed
WO-2002048097-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF PARASITIC INFECTIONS CORVAS INTERNATIONAL, INC. (US) 2002-06-20 WO disclosed
EP-0528891-B1 METHOD FOR INCREASING BLOOD-BRAIN BARRIER PERMEABILITY ALKERMES INC (US) 2000-07-05 EP disclosed
EP-0585412-B1 INCREASING BLOOD-BRAIN BARRIER PERMEABILITY WITH PERMEABILIZER PEPTIDES ALKERMES INC (US) 1999-07-07 EP disclosed
EP-0885900-A2 Increasing blood-brain barrier permeability with permeabilizer peptide derivatives of bradykinin ALKERMES, INC. (US) 1998-12-23 EP disclosed
US-5686416-A BRADYKININ ANALOGUES; NONA-, DECA- AND POLYPEPTIDES ALKERMES, INC. (US) 1997-11-11 US disclosed
US-5506206-A ARGININE-PROLINE-HYDROXYPROLINE-GLYCINE-THIENYLALANINE-SERINE -(4-METHYL-TYROSINE)-ARGANINE OR A CONFORMATIONAL ANALOGUE, USED AS THERAPEUTICAL OR DIAGNOSTIC AGENTS ALKERMES, INC. (US) 1996-04-09 US disclosed
EP-0585412-A1 INCREASING BLOOD-BRAIN BARRIER PERMEABILITY WITH PERMEABILIZER PEPTIDES ALKERMES, INC. (US) 1994-03-09 EP disclosed
US-5268164-A Intravascular administering a oligopeptide ALKERMES, INC. (US) 1993-12-07 US disclosed
EP-0528891-A1 METHOD FOR INCREASING BLOOD-BRAIN BARRIER PERMEABILITY ALKERMES, INC. (US) 1993-03-03 EP disclosed
WO-1992018529-A1 INCREASING BLOOD-BRAIN BARRIER PERMEABILITY WITH PERMEABILIZER PEPTIDES ALKERMES, INC. (US) 1992-10-29 WO 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-20020107266-A1 Compounds, compositions and methods for treatment of parasitic infections CAT, CTSA, CTRL PPARG 1973/4885PPARA 2020/4885CACNA1B 2459/4885

“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.