SCHEMBL4903634

SCHEMBL4903634

O=C(O)C(CS)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
GAA P10253 2/20 0.68
POLB P06746 4/20 0.66
KDM4E B2RXH2 1/20 0.66
TP53 P04637 1/20 0.66
GLA P06280 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
HPGD P15428 1/20 0.66
ALOX12 P18054 1/20 0.66
NFKB1 P19838 1/20 0.66
APEX1 P27695 1/20 0.66
MAPK1 P28482 1/20 0.66
HSD17B10 Q99714 1/20 0.66
L3MBTL1 Q9Y468 2/20 0.55
HIF1A Q16665 1/20 0.55
AADAT Q8N5Z0 1/20 0.53
DNMT1 P26358 6/20 0.52
KMT2A Q03164 2/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL7423088 1.00 ALDH1A1 (0.68) ALDH1A1GAAPOLBKDM4ETP53
Trifluoroacetic Acid SCHEMBL10431490 0.91 ALDH1A1 (0.61) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL14170142 0.84 ALDH1A1 (0.53) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL22502343 0.84 ALDH1A1 (0.70) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL7429057 0.84 ALDH1A1 (0.70) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL14680937 0.84 ALDH1A1 (0.70) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL10693046 0.83 ALDH1A1 (0.49) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL10696021 0.82 MEN1 (0.50) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL512864 0.82 ALDH1A1 (0.68) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL512529 0.82 ALDH1A1 (0.71) ALDH1A1GAAPOLBKDM4ETP53

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 13 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-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-20080003288-A1 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2008-01-03 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-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-7204997-B2 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2007-04-17 US disclosed
EP-1478403-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA, INC. (CA) 2004-11-24 EP disclosed
US-20030152623-A1 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2003-08-14 US disclosed
WO-2003063909-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA INC. (US) 2003-08-07 WO disclosed
EP-0910351-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-28 EP disclosed
EP-0907666-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-14 EP disclosed
WO-1997049736-A2 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed
WO-1997049387-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO 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 (1 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-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 ALDH1A1 2775/4885GAA 189/4885POLB 4118/4885

“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.