SCHEMBL4993142

SCHEMBL4993142

[NH]c1ccsc1NCC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN2 P17706 1/20 0.36
▸ PTPRB P23467 1/20 0.36
▸ PTPN6 P29350 1/20 0.36
▸ POLB P06746 3/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MAPK8 P45983 2/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ABCC1 P33527 1/20 0.33
▸ CDC25A P30304 1/20 0.33
▸ RAB9A P51151 3/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ PTK2 Q05397 1/20 0.32
▸ GRIN2D O15399 1/20 0.32
▸ GRIN3B O60391 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2A Q12879 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ GRIN2C Q14957 1/20 0.32

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
SCHEMBL9135107 0.78 GSK3B (0.41) PTPN2PTPRBPTPN6POLBKMT2A
SCHEMBL11498343 0.75 PTK2 (0.56) KMT2AMAPK8MAPTRAB9ANPC1
SCHEMBL9135364 0.74 CTNNB1 (0.38) PTPN2PTPRBPTPN6POLBMAPK8
SCHEMBL3907260 0.67 PTPN2 (0.56) PTPN2KMT2AMAPK8ABCC1RAB9A
Hydrochloric Acid SCHEMBL4629898 0.65 GAA (0.45) POLBKMT2ATDP1MAPTRAB9A
SCHEMBL197214 0.65 GAA (0.45) POLBKMT2ATDP1MAPTRAB9A
SCHEMBL6985215 0.64 RAB9A (0.49) POLBKMT2AMAPTRAB9ANPC1
SCHEMBL5692310 0.64 ALDH1A1 (0.44) POLBKMT2AMAPTCDC25ARAB9A
SCHEMBL11078456 0.63 MEN1 (0.40) POLBKMT2ATDP1PTGS2MAPT
SCHEMBL10901365 0.63 GPR35 (0.50) POLBKMT2ATDP1PTGS2ALDH1A1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390801-B2 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting β-amyloid peptide release and/or its synthesis by use of such compounds ATHENA NEUROSCIENCES, INC. (US) 2008-06-24 — — US disclosed
US-20070203108-A1 Alzheimer's disease; 5-{N'-(4-thianaphthenacetyl)-L-alaninyl}-amino-7-methyl-5,7-dihydro-6H-dibenz[b,d]azepin-6-one THORSETT EUGENE D 2007-08-30 — — US disclosed
US-7153847-B2 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting β-amyloid peptide release and/or its synthesis by use of such compounds ATHENA NEUROSCIENCES, INC. (US) 2006-12-26 — — US disclosed
US-20060079499-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 2006-04-13 — — US disclosed
US-20050272666-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 2005-12-08 — — US disclosed
US-20050215541-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 ATHENA NEUROSCIENCES, INC. AND ELI LILLY & COMPANY 2005-09-29 — — US disclosed
US-20050203080-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) 2005-09-15 — — US disclosed
US-20050182046-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) 2005-08-18 — — US disclosed
US-6683075-B1 FUSED NITROGENHETEROCYCLIC AMIDES; ALZHEIMER'S DISEASE ATHENA NEUROSCIENCES, INC. 2004-01-27 — — 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-6632811-B2 Administering cycloalkyl, lactam, lactone compounds for for inhibiting beta -amyloid peptide release and/or its synthesis in a cell ATHENA NEUROSCIENCES, INC. 2003-10-14 — — 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-6541466-B2 Such as 1-(N'-(3,5-difluorophenylacetyl)-L-alaninyl)-aminodibenzosuberane; for treatment of Alzheimer's disease ATHENA NEUROSCIENCES, INC. 2003-04-01 — — 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 (6 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-20050203080-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 PTPN2 4207/4885PTPRB 2660/4885PTPN6 3975/4885
US-20070203108-A1 Alzheimer's disease; 5-{N'-(4-thianaphthenacetyl)-L-alaninyl}-amino-7-methyl-5,7-dihydro-6H-dibenz[b,d]azepin-6-one APP, BACE1, PSEN1 PTPN2 4326/4885PTPRB 3196/4885PTPN6 3477/4885
US-20050272666-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 PTPN2 4207/4885PTPRB 2660/4885PTPN6 3975/4885
US-20060079499-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 PTPN2 4207/4885PTPRB 2660/4885PTPN6 3975/4885
US-20050182046-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 PTPN2 4207/4885PTPRB 2660/4885PTPN6 3975/4885
US-20050215541-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 PTPN2 4207/4885PTPRB 2660/4885PTPN6 3975/4885

“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.

Send feedback