SCHEMBL111280

SCHEMBL111280

CCCCCCCCCCCCCOC(=O)C(N)CCSC

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 4/20 0.49
NAAA Q02083 1/20 0.44
EPHX1 P07099 1/20 0.42
MARS1 P56192 5/20 0.41
TSHR P16473 2/20 0.41
HTR2C P28335 1/20 0.41
HCAR2 Q8TDS4 1/20 0.39
RAD52 P43351 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL113748 1.00 NOD1 (0.49) NOD1NAAAEPHX1MARS1TSHR
SCHEMBL8852410 1.00 NOD1 (0.49) NOD1NAAAEPHX1MARS1TSHR
SCHEMBL8852558 1.00 NOD1 (0.49) NOD1NAAAEPHX1MARS1TSHR
SCHEMBL110147 1.00 NOD1 (0.49) NOD1NAAAEPHX1MARS1TSHR
SCHEMBL7780237 1.00 NOD1 (0.49) NOD1NAAAEPHX1MARS1TSHR
SCHEMBL112341 1.00 NOD1 (0.49) NOD1NAAAEPHX1MARS1TSHR
SCHEMBL2928691 1.00 NOD1 (0.49) NOD1NAAAEPHX1MARS1TSHR
SCHEMBL110148 1.00 NOD1 (0.49) NOD1NAAAEPHX1MARS1TSHR
SCHEMBL8852439 1.00 NOD1 (0.49) NOD1NAAAEPHX1MARS1TSHR
SCHEMBL2928692 1.00 NOD1 (0.49) NOD1NAAAEPHX1MARS1TSHR

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 33 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
WO-2010127193-A1 STABILIZED LIPID FORMULATION OF APOPTOSIS PROMOTER ABBOTT LABORATORIES (US) 2010-11-04 WO claimed
US-20100278905-A1 STABILIZED LIPID FORMULATION OF APOPTOSIS PROMOTER ABBVIE INC. 2010-11-04 US 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-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
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
WO-2010127193-A1 STABILIZED LIPID FORMULATION 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-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 1503/4885NAAA 4361/4885EPHX1 4611/4885
US-20100297194-A1 FORMULATION FOR ORAL ADMINISTRATION OF APOPTOSIS PROMOTER BCL2, BAX, BCL2L2 NOD1 2124/4885NAAA 4756/4885EPHX1 4586/4885
US-20100305125-A1 SALT OF ABT-263 AND SOLID-STATE FORMS THEREOF BCL3, BCL2, BCL2L13 NOD1 2221/4885NAAA 4230/4885EPHX1 4845/4885
US-20100278905-A1 STABILIZED LIPID FORMULATION OF APOPTOSIS PROMOTER BCL2, BAX, BCOR NOD1 2795/4885NAAA 4513/4885EPHX1 4584/4885

“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.