SCHEMBL111432

SCHEMBL111432

CCCOC(=O)C(O)SC(O)C(=O)OCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.39
ALDH1A1 P00352 6/20 0.38
LMNA P02545 1/20 0.36
CHRM1 P11229 2/20 0.35
ESR1 P03372 1/20 0.35
TSHR P16473 1/20 0.35
SLC6A2 P23975 1/20 0.35
KDR P35968 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35

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
SCHEMBL3139582 0.92 HCAR2 (0.38) HCAR2ALDH1A1LMNACHRM1ESR1
SCHEMBL109355 0.86 ALDH1A1 (0.52) HCAR2ALDH1A1LMNAESR1TSHR
SCHEMBL111427 0.83 NAAA (0.53) HCAR2ALDH1A1LMNATSHR
SCHEMBL110462 0.83 NAAA (0.53) HCAR2ALDH1A1LMNATSHR
SCHEMBL111061 0.83 NAAA (0.53) HCAR2ALDH1A1LMNATSHR
SCHEMBL112352 0.83 NAAA (0.53) HCAR2ALDH1A1LMNATSHR
SCHEMBL27857882 0.82 HCAR2 (0.41) HCAR2ALDH1A1LMNACHRM1ESR1
SCHEMBL109870 0.80 ALDH1A1 (0.46) HCAR2ALDH1A1LMNACHRM1TSHR
SCHEMBL6670943 0.77 HCAR2 (0.43) HCAR2ALDH1A1LMNACHRM1ESR1
SCHEMBL8636453 0.77 HCAR2 (0.43) HCAR2ALDH1A1LMNACHRM1ESR1

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 32 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-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
CN-102802605-A Stable lipid formulations of apoptosis promoters ABBOTT LAB 2012-11-28 CN disclosed
EP-2515883-A1 ABT-263 CAPSULE Abbott Laboratories (US) 2012-10-31 EP 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
US-7642371-B2 Process for preparing dialkyl thiodiglycolates SALTIGO GMBH (DE) 2010-01-05 US disclosed
US-20090163736-A1 PROCESS FOR PREPARING DIALKYL THIODIGLYCOLATES SALTIGO GMBH (DE) 2009-06-25 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 (3 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-20100297194-A1 FORMULATION FOR ORAL ADMINISTRATION OF APOPTOSIS PROMOTER BCL2, BAX, BCL2L2 HCAR2 3608/4885ALDH1A1 3413/4885LMNA 2438/4885
US-20100305125-A1 SALT OF ABT-263 AND SOLID-STATE FORMS THEREOF BCL3, BCL2, BCL2L13 HCAR2 3570/4885ALDH1A1 4223/4885LMNA 1136/4885
US-20100278905-A1 STABILIZED LIPID FORMULATION OF APOPTOSIS PROMOTER BCL2, BAX, BCOR HCAR2 3728/4885ALDH1A1 3985/4885LMNA 2007/4885

“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.