SCHEMBL3343995

SCHEMBL3343995

O=C(NC(=Cc1ccccc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
LMNA P02545 2/20 0.49
MIF P14174 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALDH1A1 P00352 3/20 0.45
HCAR2 Q8TDS4 1/20 0.44
TGM2 P21980 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL3343985 1.00 CA12 (0.50) CA12CA1CA2CA9LMNA
SCHEMBL3343992 1.00 CA12 (0.50) CA12CA1CA2CA9LMNA
SCHEMBL3346312 0.90 MEN1 (0.53) CA12CA1CA2CA9LMNA
SCHEMBL3346315 0.90 MEN1 (0.53) CA12CA1CA2CA9LMNA
SCHEMBL3346306 0.90 MEN1 (0.53) CA12CA1CA2CA9LMNA
SCHEMBL3346169 0.90 MIF (0.46) CA12CA1CA2CA9LMNA
SCHEMBL3343675 0.90 LMNA (0.48) CA12CA1CA2CA9LMNA
SCHEMBL3346174 0.90 MIF (0.46) CA12CA1CA2CA9LMNA
SCHEMBL3343672 0.90 LMNA (0.48) CA12CA1CA2CA9LMNA
SCHEMBL3346165 0.90 MIF (0.46) CA12CA1CA2CA9LMNA

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858776-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2010-12-28 US disclosed
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2010-06-24 US disclosed
US-7582797-B2 Derivatives of 4,4′-dithiobis-(3-aminobutane-1-sulfonates) and compositions comprising the same INSTITUTE NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2009-09-01 US disclosed
US-20090054398-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-02-26 US disclosed
EP-1996202-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2008-12-03 EP disclosed
US-20080076752-A1 substituted structure of 3-amino-2-(2,5-difluorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one; 6-amino-7-phenyl-1,4-thiazepan-5-one; -amino-2-phenyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one for treating neurological disorders such as Alzheimer's; inhibit the production of amyloid beta protein ASTRAZENECA AB (SE) 2008-03-27 US disclosed
US-7294622-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2007-11-13 US disclosed
EP-1845089-A1 Novel lactams and uses thereof AstraZeneca AB (SE) 2007-10-17 EP disclosed
EP-1554250-B1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2007-09-26 EP disclosed
WO-2007104933-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2007-09-20 WO disclosed
US-6960664-B2 Aza hydroxylated ethyl amine compounds PHARMACIA & UPJOHN COMPANY (US) 2005-11-01 US disclosed
EP-1554250-A1 NOVEL LACTAMS AND USES THEREOF AstraZeneca AB (SE) 2005-07-20 EP disclosed
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
WO-2004031154-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-04-15 WO disclosed
EP-1392645-A2 AZA HYDROXYLATED ETHYL AMINE COMPOUNDS Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
US-20030229138-A1 Aza hydroxylated ethyl amine compounds utility PHARMACIA & UPJOHN COMPANY 2003-12-11 US disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
WO-2002094768-A2 AZA HYDROXYLATED ETHYL AMINE COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 2002-11-28 WO disclosed
US-4539150-A HYPOTENSIVE AGENTS, SULFIDING, CYCLIZATION MITSUI TOATSU CHEMICALS, INC. (JP) 1985-09-03 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 (5 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-20030229138-A1 Aza hydroxylated ethyl amine compounds utility BACE1, BCHE, PRMT1 CA12 2539/4885CA1 296/4885CA2 3689/4885
US-20080076752-A1 substituted structure of 3-amino-2-(2,5-difluorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one; 6-amino-7-phenyl-1,4-thiazepan-5-one; -amino-2-phenyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one for treating neurological disorders such as Alzheimer's; inhibit the production of amyloid beta protein APP, BACE1, PSEN1 CA12 4256/4885CA1 792/4885CA2 1180/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP CA12 3865/4885CA1 1157/4885CA2 3522/4885
US-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 CA12 613/4885CA1 23/4885CA2 608/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 CA12 1249/4885CA1 1122/4885CA2 827/4885

“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.