SCHEMBL6136678

SCHEMBL6136678

CCC(NC(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.48
GRN P28799 1/20 0.47
SORT1 Q99523 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
FPR2 P25090 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 2/20 0.44
SIGMAR1 Q99720 1/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43

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
SCHEMBL6793460 0.86 CNR2 (0.50) S1PR3GRNSORT1L3MBTL1KMT2A
SCHEMBL6136364 0.85 CNR2 (0.58) L3MBTL1KMT2AMEN1LMNATDP1
SCHEMBL6136500 0.84 L3MBTL1 (0.49) S1PR3GRNSORT1L3MBTL1KMT2A
SCHEMBL6136504 0.84 L3MBTL1 (0.49) S1PR3GRNSORT1L3MBTL1KMT2A
SCHEMBL4413017 0.81 SMN1; SMN2 (0.44) S1PR3L3MBTL1KMT2AMEN1LMNA
SCHEMBL6709399 0.81 MEN1 (0.51) KMT2AMEN1SMN1; SMN2SIGMAR1
SCHEMBL8599743 0.80 CA2 (0.46) S1PR3L3MBTL1KMT2AMEN1LMNA
SCHEMBL6136287 0.80 POLB (0.59) KMT2AMEN1MAPT
SCHEMBL6049439 0.80 POLB (0.59) KMT2AMEN1MAPT
SCHEMBL6136552 0.79 MME (0.58) L3MBTL1KMT2AMEN1LMNAHTT

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 S1PR3 3994/4885GRN 61/4885SORT1 1588/4885
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 S1PR3 3994/4885GRN 61/4885SORT1 1588/4885

“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.