SCHEMBL5667294

SCHEMBL5667294

CC(C)(C)c1cccc([C]2CCC3(CC2)OCC(C(N)=O)O3)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
KIF11 P52732 1/20 0.33
CYP26B1 Q9NR63 3/20 0.32
CYP26A1 O43174 2/20 0.32
ACHE P22303 3/20 0.32
CTSD P07339 5/20 0.31
BACE1 P56817 5/20 0.31
MGLL Q99685 2/20 0.31
DHODH Q02127 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL5730878 0.76 KIF11 (0.41) RXRARXRBKIF11CYP26B1CYP26A1
SCHEMBL5729388 0.73 KIF11 (0.46) RXRARXRBKIF11CYP26B1CYP26A1
SCHEMBL2876867 0.72 RXRA (0.42) RXRARXRBKIF11CYP26B1CYP26A1
SCHEMBL5730229 0.70 KIF11 (0.44) RXRARXRBKIF11CYP26B1CYP26A1
SCHEMBL5730618 0.70 KIF11 (0.44) RXRARXRBKIF11CYP26B1CYP26A1
SCHEMBL5729232 0.69 KIF11 (0.45) RXRARXRBKIF11ACHEHDAC4
SCHEMBL2874345 0.68 KIF11 (0.50) RXRARXRBKIF11CYP26B1CYP26A1
SCHEMBL5730248 0.66 KIF11 (0.45) RXRARXRBKIF11CYP26B1CYP26A1
SCHEMBL5729463 0.66 KIF11 (0.47) RXRARXRBKIF11CYP26B1CYP26A1
SCHEMBL5729516 0.63 KIF11 (0.41) RXRARXRBKIF11CYP26B1CYP26A1

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
EP-1734942-A1 SUBSTITUTED UREA AND CARBAMATE, PHENACYL-2-HYDROXY-3-DIAMINOALKANE, AND BENZAMIDE-2-HYDROXY-3-DIAMINOALKANE ASPARTYL-PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-27 EP disclosed
EP-1729755-A1 METHODS OF TREATMENT OF AMYLOIDOSIS USING ASPARTYL-PROTEASE INIHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-13 EP disclosed
US-20060014790-A1 Methods of treatment of amyloidosis using spirocyclohexane aspartyl-protease inhibitors ELAN PHARMACEUTICALS, INC. 2006-01-19 US disclosed
US-20050261273-A1 Substituted urea and carbamate, phenacyl-2-hydroxy-3-diaminoalkane, and benzamide-2-hydroxy-3-diaminoalkane aspartyl-protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-11-24 US disclosed
WO-2005087215-A1 SUBSTITUTED UREA AND CARBAMATE, PHENACYL-2-HYDROXY-3-DIAMINOALKANE, AND BENZAMIDE-2-HYDROXY-3-DIAMINOALKANE ASPARTYL-PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
WO-2005070407-A1 METHODS OF TREATMENT OF AMYLOIDOSIS USING ASPARTYL-PROTEASE INIHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-08-04 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 (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-20050261273-A1 Substituted urea and carbamate, phenacyl-2-hydroxy-3-diaminoalkane, and benzamide-2-hydroxy-3-diaminoalkane aspartyl-protease inhibitors DNPEP, ASPH, PEPD RXRA 2422/4885RXRB 2935/4885KIF11 4726/4885
US-20060014790-A1 Methods of treatment of amyloidosis using spirocyclohexane aspartyl-protease inhibitors ASPH, DNPEP, ACE RXRA 3709/4885RXRB 3682/4885KIF11 4712/4885

“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.