SCHEMBL6136368

SCHEMBL6136368

CCC(C(=O)O)N(C(C)=O)c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
CYP3A4 P08684 1/20 0.38
PPARG P37231 3/20 0.38
PPARA Q07869 2/20 0.38
LMNA P02545 3/20 0.37
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
MT-CO2 P00403 1/20 0.35
EPHX2 P34913 1/20 0.35
UTS2R Q9UKP6 1/20 0.35
BRD4 O60885 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL3143496 0.85 ESR1 (0.39) CYP3A4LMNACYP2C9CYP2C19HSD17B10
SCHEMBL6136294 0.85 ALDH1A1 (0.45) CYP3A4LMNANPSR1CYP2C9CYP2C19
SCHEMBL6136653 0.84 S100A4 (0.37) HSD17B10ALDH1A1POLBTDP1TP53
SCHEMBL6136666 0.84 FPR2 (0.38) HTTLMNAKDM4EALDH1A1POLB
SCHEMBL6136682 0.83 KMO (0.37) HTTCYP3A4LMNAALDH1A1SMN1; SMN2
SCHEMBL6709403 0.82 ALDH1A1 (0.40) NPSR1ALDH1A1POLB
SCHEMBL6448597 0.80 SLC6A2 (0.40) HTTCYP3A4LMNANPSR1MMP2
SCHEMBL6136395 0.79 FSCN1 (0.53) CYP3A4PPARAKDM4EALDH1A1POLB
SCHEMBL6136487 0.79 ALDH1A1 (0.50) HTTCYP3A4LMNANPSR1ALDH1A1
SCHEMBL7576950 0.79 POLB (0.40) KDM4EMMP2MMP9ALDH1A1POLB

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 HTT 94/4885CYP3A4 3187/4885PPARG 3362/4885
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 HTT 94/4885CYP3A4 3187/4885PPARG 3362/4885

“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.