SCHEMBL112307

SCHEMBL112307

CCCCCCCCCCCCCCOC(=O)[C@@H](N)CS

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.50
EPHX1 P07099 1/20 0.47
NOD1 Q9Y239 2/20 0.47
TSHR P16473 3/20 0.46
HTR2C P28335 1/20 0.45
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
HCAR2 Q8TDS4 1/20 0.43
RAD52 P43351 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
FAAH O00519 1/20 0.42
LMNA P02545 1/20 0.42
ACHE P22303 3/20 0.42

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
SCHEMBL112513 1.00 NAAA (0.50) NAAAEPHX1NOD1TSHRHTR2C
SCHEMBL110651 1.00 NAAA (0.50) NAAAEPHX1NOD1TSHRHTR2C
SCHEMBL112512 1.00 NAAA (0.50) NAAAEPHX1NOD1TSHRHTR2C
SCHEMBL5220076 1.00 NAAA (0.50) NAAAEPHX1NOD1TSHRHTR2C
SCHEMBL8029779 1.00 NAAA (0.50) NAAAEPHX1NOD1TSHRHTR2C
SCHEMBL109917 1.00 NAAA (0.50) NAAAEPHX1NOD1TSHRHTR2C
SCHEMBL5366842 1.00 NAAA (0.50) NAAAEPHX1NOD1TSHRHTR2C
SCHEMBL110652 1.00 NAAA (0.50) NAAAEPHX1NOD1TSHRHTR2C
SCHEMBL114444 1.00 NAAA (0.50) NAAAEPHX1NOD1TSHRHTR2C
SCHEMBL114445 1.00 NAAA (0.50) NAAAEPHX1NOD1TSHRHTR2C

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-8362013-B2 Salt of ABT-263 and solid-state forms thereof ABBVIE INC. (US) 2013-01-29 US disclosed
US-8362014-B2 ABT-263 crystalline forms 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 NAAA 4361/4885EPHX1 4611/4885NOD1 1503/4885
US-20100297194-A1 FORMULATION FOR ORAL ADMINISTRATION OF APOPTOSIS PROMOTER BCL2, BAX, BCL2L2 NAAA 4756/4885EPHX1 4586/4885NOD1 2124/4885
US-20100305125-A1 SALT OF ABT-263 AND SOLID-STATE FORMS THEREOF BCL3, BCL2, BCL2L13 NAAA 4230/4885EPHX1 4845/4885NOD1 2221/4885
US-20100278905-A1 STABILIZED LIPID FORMULATION OF APOPTOSIS PROMOTER BCL2, BAX, BCOR NAAA 4513/4885EPHX1 4584/4885NOD1 2795/4885

“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.