SCHEMBL110467

SCHEMBL110467

CCCOC(=O)C(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
SCHEMBL110469 1.00 NOD1 (0.37) NOD1ANPEPENPEPHCAR2SLC1A2
SCHEMBL110468 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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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-8362014-B2 ABT-263 crystalline forms ABBVIE INC. (US) 2013-01-29 US disclosed
US-8362013-B2 Salt of ABT-263 and solid-state forms thereof ABBVIE INC. (US) 2013-01-29 US disclosed
EP-2515883-A1 ABT-263 CAPSULE Abbott Laboratories (US) 2012-10-31 EP disclosed
CN-102695702-A ABT-263 crystalline forms and solvates for the treatment of diseases associated with the BCL-2 protein ABBOTT LAB 2012-09-26 CN disclosed
WO-2011034934-A1 ABT-263 CRYSTALLINE FORMS AND SOLVATES FOR USE IN TREATING BCL-2 PROTEIN RELATED DISEASES ABBOTT LABORATORIES (US) 2011-03-24 WO disclosed
WO-2010147899-A1 STABLE NANOPARTICULATE DRUG SUSPENSION ABBOTT LABORATORIES (US) 2010-12-23 WO disclosed
US-20100323020-A1 STABLE NANOPARTICULATE DRUG SUSPENSION ABBOTT LABORATORIES (US) 2010-12-23 US disclosed
US-20100305125-A1 SALT OF ABT-263 AND SOLID-STATE FORMS THEREOF ABBVIE INC. 2010-12-02 US disclosed
US-20100297194-A1 FORMULATION FOR ORAL ADMINISTRATION OF APOPTOSIS PROMOTER ABBOTT LABORATORIES 2010-11-25 US disclosed
WO-2010127198-A1 FORMULATION FOR ORAL ADMINISTRATION OF APOPTOSIS PROMOTER ABBOTT LABORATORIES (US) 2010-11-04 WO 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-2010127190-A1 SALT OF ABT-263 AND SOLID-STATE FORMS THEREOF ABBOTT LABORATORIES (US) 2010-11-04 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 (4 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-20100323020-A1 STABLE NANOPARTICULATE DRUG SUSPENSION BCL2L10, TMBIM6, BCOR NOD1 1503/4885ANPEP 4306/4885ENPEP 4670/4885
US-20100297194-A1 FORMULATION FOR ORAL ADMINISTRATION OF APOPTOSIS PROMOTER BCL2, BAX, BCL2L2 NOD1 2124/4885ANPEP 4500/4885ENPEP 4372/4885
US-20100305125-A1 SALT OF ABT-263 AND SOLID-STATE FORMS THEREOF BCL3, BCL2, BCL2L13 NOD1 2221/4885ANPEP 4130/4885ENPEP 4522/4885
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.