SCHEMBL110468

SCHEMBL110468

CCCOC(=O)[C@@H](N)CCS

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 1/20 0.37
ANPEP P15144 1/20 0.35
ENPEP Q07075 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
SLC1A2 P43004 3/20 0.33
SLC1A1 P43005 3/20 0.33
SLC1A3 P43003 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
LMNA P02545 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC7A11 Q9UPY5 1/20 0.32
CPB2 Q96IY4 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 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
SCHEMBL110467 1.00 NOD1 (0.37) NOD1ANPEPENPEPHCAR2SLC1A2
SCHEMBL110469 1.00 NOD1 (0.37) NOD1ANPEPENPEPHCAR2SLC1A2
SCHEMBL112159 0.89 ALDH1A1 (0.45) NOD1HCAR2SLC1A2SLC1A1SLC1A3
SCHEMBL112158 0.89 ALDH1A1 (0.45) NOD1HCAR2SLC1A2SLC1A1SLC1A3
SCHEMBL112160 0.89 ALDH1A1 (0.45) NOD1HCAR2SLC1A2SLC1A1SLC1A3
SCHEMBL3260928 0.87 NOD1 (0.49) NOD1HCAR2SLC1A2SLC1A1ALDH1A1
SCHEMBL3260930 0.87 NOD1 (0.49) NOD1HCAR2SLC1A2SLC1A1ALDH1A1
SCHEMBL111261 0.85 NOD1 (0.51) NOD1HCAR2ALDH1A1GRIK1GRIK2
SCHEMBL110952 0.85 NOD1 (0.51) NOD1HCAR2ALDH1A1GRIK1GRIK2
SCHEMBL109771 0.85 NOD1 (0.51) NOD1HCAR2ALDH1A1GRIK1GRIK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102802605-A Stable lipid formulations of apoptosis promoters ABBOTT LAB 2012-11-28 CN claimed
EP-2424499-A1 STABILIZED LIPID FORMULATION OF APOPTOSIS PROMOTER Abbott Laboratories (US) 2012-03-07 EP claimed
US-20100278905-A1 STABILIZED LIPID FORMULATION OF APOPTOSIS PROMOTER ABBVIE INC. 2010-11-04 US claimed
WO-2010127193-A1 STABILIZED LIPID FORMULATION OF APOPTOSIS PROMOTER ABBOTT LABORATORIES (US) 2010-11-04 WO claimed
EP-1379214-A1 HAIR RELAXER COMPOSITIONS COMPRISING AT LEAST ONE HYDROXIDE COMPOUND AND AT LEAST ONE ACTIVATING AGENT, AND METHODS OF USING SAME L'OREAL, S.A. (FR) 2004-01-14 EP claimed
US-20020159962-A1 Hair relaxer compositions comprising at least one hydroxide compound and at least one activating agent, and methods of using the same L'OREAL S.A. (FR) 2002-10-31 US claimed
WO-2002067875-A1 HAIR RELAXER COMPOSITIONS COMPRISING AT LEAST ONE HYDROXIDE COMPOUND AND AT LEAST ONE ACTIVATING AGENT, AND METHODS OF USING THE SAME L'OREAL S.A. (FR) 2002-09-06 WO claimed
CN-105820138-A ABT-263 crystalline forms and solvates for use in treating BCL-2 protein related diseases ABBVIE 公司 2016-08-03 CN disclosed
CN-102655858-B ABT-263 capsule ABBVIE (US) 2015-11-25 CN disclosed
CN-102802605-B Stable lipid formulations of apoptosis promoters ABBVIE (US) 2015-08-12 CN disclosed
US-8927009-B2 ABT-263 capsule ABBVIE INC. (US) 2015-01-06 US disclosed
US-8728516-B2 Stabilized lipid formulation of apoptosis promoter ABBVIE INC. (US) 2014-05-20 US disclosed
US-8513243-B2 ABT-263 crystalline forms ABBVIE INC. (US) 2013-08-20 US disclosed
US-20100278905-A1 STABILIZED LIPID FORMULATION OF APOPTOSIS PROMOTER ABBVIE INC. 2010-11-04 US disclosed
WO-2010127193-A1 STABILIZED LIPID FORMULATION OF APOPTOSIS PROMOTER ABBOTT LABORATORIES (US) 2010-11-04 WO disclosed
WO-2010108210-A1 RADIOLABELED FLUORINE DERIVATIVES OF METHIONINE CRC FOR BIOMEDICAL IMAGING DEVELOPMENT LTD (AU) 2010-09-30 WO disclosed
US-7118736-B2 Hair relaxer compositions comprising at least one hydroxide compound and at least one activating agent, and methods of using the same L'OREAL (FR) 2006-10-10 US disclosed
EP-1379214-A1 HAIR RELAXER COMPOSITIONS COMPRISING AT LEAST ONE HYDROXIDE COMPOUND AND AT LEAST ONE ACTIVATING AGENT, AND METHODS OF USING SAME L'OREAL, S.A. (FR) 2004-01-14 EP disclosed
US-20020159962-A1 Hair relaxer compositions comprising at least one hydroxide compound and at least one activating agent, and methods of using the same L'OREAL S.A. (FR) 2002-10-31 US disclosed
WO-2002067875-A1 HAIR RELAXER COMPOSITIONS COMPRISING AT LEAST ONE HYDROXIDE COMPOUND AND AT LEAST ONE ACTIVATING AGENT, AND METHODS OF USING THE SAME L'OREAL S.A. (FR) 2002-09-06 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-20100278905-A1 STABILIZED LIPID FORMULATION OF APOPTOSIS PROMOTER BCL2, BAX, BCOR NOD1 2795/4885ANPEP 4689/4885ENPEP 4640/4885

“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.