SCHEMBL6136366

SCHEMBL6136366

CCC(NC(=O)Cc1cccc(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
MAPT P10636 1/20 0.60
SMYD3 Q9H7B4 2/20 0.53
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
CNR2 P34972 1/20 0.50
KDM4E B2RXH2 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
TP53 P04637 1/20 0.49
FFAR2 O15552 2/20 0.48
MAPK8 P45983 1/20 0.48
LMNA P02545 1/20 0.48
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
GPR34 Q9UPC5 1/20 0.47
PDE5A O76074 1/20 0.47

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
SCHEMBL2822341 0.90 MEN1 (0.57) MEN1KMT2AMAPTSMYD3HDAC1
SCHEMBL9849400 0.83 MEN1 (0.62) MEN1KMT2AMAPTSMYD3HDAC1
SCHEMBL4418523 0.83 SMYD3 (0.51) MEN1KMT2AMAPTSMYD3HDAC1
SCHEMBL27841361 0.83 MAPT (0.50) MEN1KMT2AMAPTKDM4ESIGMAR1
SCHEMBL6136575 0.82 CNR2 (0.57) MEN1KMT2ACNR2KDM4ESIGMAR1
SCHEMBL7573699 0.82 FAAH (0.50) MEN1KMT2AMAPTSMYD3HDAC1
SCHEMBL13753362 0.82 MEN1 (0.63) MEN1KMT2AMAPTSMYD3HDAC1
SCHEMBL6136287 0.81 POLB (0.59) MEN1KMT2AMAPTHDAC8CNR2
SCHEMBL6049439 0.81 POLB (0.59) MEN1KMT2AMAPTHDAC8CNR2
SCHEMBL6136809 0.80 EGFR (0.52) CNR2SIGMAR1MAPK8

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
EP-0951464-B1 N-(ARYL/HETEROARYLACETYL) AMINO ACID ESTERS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS ELAN PHARM INC (US) 2005-05-11 EP claimed
US-6861558-B2 Methods and compounds for inhibiting β-amyloid peptide release and/or its synthesis ELAN PHARMACEUTICALS, INC. (US) 2005-03-01 US disclosed
US-20040058900-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds WU JING (US) 2004-03-25 US disclosed
US-20040043977-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds WU JING (US) 2004-03-04 US disclosed
US-6683075-B1 FUSED NITROGENHETEROCYCLIC AMIDES; ALZHEIMER'S DISEASE ATHENA NEUROSCIENCES, INC. 2004-01-27 US disclosed
US-6667305-B1 Alzheimer's disease; beta-amyloid peptide is a small fragment of the amyloid precursor protein ATHENA NEUROSCIENCES, INC. 2003-12-23 US disclosed
US-6653303-B1 Fused nitroheterocycle with amino and amido functionality; inhibiting beta-amyloid peptide release and/or synthesis; Alzheimer's disease ATHENA NEUROSCIENCES, INC. 2003-11-25 US disclosed
US-6635632-B1 Alzheimer's disease ATHENA NEUROSCIENCES, INC. 2003-10-21 US disclosed
US-6559141-B2 Inhibit beta-amyloid peptide release and/or synthesis, use in treating Alzheimer's disease; for example, 5-(N'-(phenylacetyl)-L-alpha-(2-thienyl)glycinyl)-amino-7-methyl-5,7-dihydro-6H-dibenz(b, d)azepin-6-one ATHENA NEUROSCIENCES, INC. 2003-05-06 US disclosed
US-6544978-B2 Treating Alzheimer's disease both prophylactically and therapeutically ATHENA NEUROSCIENCES, INC. 2003-04-08 US disclosed
US-6506782-B1 Compounds which inhibit beta -amyloid peptide release and/or its synthesis, and, accordingly, have utility in treating Alzheimer's disease. Also disclosed are pharmaceutical compositions comprising a compound which inhibits beta ATHENA NEUROSCIENCES, INC. 2003-01-14 US disclosed
US-6476263-B1 Compounds for inhibiting β-amyloid peptide release and/or its synthesis ELAN PHARMACEUTICALS, INC. 2002-11-05 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-20040043977-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds BACE1, APP, BACE2 MEN1 953/4885KMT2A 4751/4885MAPT 38/4885
US-20040058900-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds BACE1, APP, BACE2 MEN1 953/4885KMT2A 4751/4885MAPT 38/4885

“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.