SCHEMBL6136546

SCHEMBL6136546

CCC(C(=O)O)N(C(C)=O)c1cccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 3/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 5/20 0.34
HPGD P15428 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
HSD17B10 Q99714 2/20 0.34
PKM P14618 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
POLB P06746 2/20 0.33
HPGDS O60760 1/20 0.33
DAO P14920 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
USP2 O75604 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL8001991 0.81 ALDH1A1 (0.37) CYP2C19CYP2C9CYP2D6TSHRALDH1A1
SCHEMBL7775515 0.81 CYP2C19 (0.40) CYP2C19CYP2C9ALDH1A1HPGDSMN1; SMN2
SCHEMBL7775511 0.81 CYP2C19 (0.40) CYP2C19CYP2C9ALDH1A1HPGDSMN1; SMN2
SCHEMBL7572658 0.80 L3MBTL1 (0.39) TSHRALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL11624122 0.80 CYP2C19 (0.39) CYP2C19CYP2C9ALDH1A1HPGDSMN1; SMN2
SCHEMBL6136294 0.76 ALDH1A1 (0.45) CYP2C19CYP2C9TSHRALDH1A1SMN1; SMN2
SCHEMBL11631111 0.74 HSD17B10 (0.36) CYP2C19CYP2C9ALDH1A1HPGDSMN1; SMN2
SCHEMBL6136480 0.74 CHRM2 (0.34) CHRM2CHRM1CHRM3DAOPTGS1
SCHEMBL28425025 0.72 CYP2C19 (0.41) CYP2C19CYP2C9TSHRALDH1A1HPGD
SCHEMBL207698 0.71 NPC1 (0.44) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A

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 CYP2C19 1402/4885CYP2C9 1872/4885CYP2D6 3397/4885
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 CYP2C19 1402/4885CYP2C9 1872/4885CYP2D6 3397/4885

“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.