SCHEMBL112160

SCHEMBL112160

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
NOD1 Q9Y239 2/20 0.44
ATM Q13315 1/20 0.42
TSHR P16473 3/20 0.40
HPGD P15428 1/20 0.40
HCAR2 Q8TDS4 1/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PDE4D Q08499 1/20 0.38
NAAA Q02083 1/20 0.37
SLC1A2 P43004 2/20 0.37
SLC1A1 P43005 2/20 0.37
SLC1A3 P43003 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL112159 1.00 ALDH1A1 (0.45) ALDH1A1NOD1ATMTSHRHPGD
SCHEMBL112158 1.00 ALDH1A1 (0.45) ALDH1A1NOD1ATMTSHRHPGD
SCHEMBL27723091 0.96 NOD1 (0.45) ALDH1A1NOD1ATMTSHRHPGD
Sulfur Dioxide SCHEMBL27469685 0.95 NOD1 (0.41) ALDH1A1NOD1ATMTSHRHPGD
SCHEMBL3260930 0.95 NOD1 (0.49) ALDH1A1NOD1TSHRHCAR2CYP3A4
SCHEMBL3260928 0.95 NOD1 (0.49) ALDH1A1NOD1TSHRHCAR2CYP3A4
SCHEMBL109771 0.93 NOD1 (0.51) ALDH1A1NOD1TSHRHCAR2LMNA
SCHEMBL110954 0.93 NOD1 (0.51) ALDH1A1NOD1TSHRHCAR2LMNA
SCHEMBL111688 0.93 NOD1 (0.51) ALDH1A1NOD1TSHRHCAR2LMNA
SCHEMBL111261 0.93 NOD1 (0.51) ALDH1A1NOD1TSHRHCAR2LMNA

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 37 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
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
EP-1940880-A2 TREATING DIABETES USING INHIBITORS OF IL-1 Novo Nordisk A/S (DK) 2008-07-09 EP disclosed
WO-2007042524-A2 TREATING DIABETES USING INHIBITORS OF IL-1 NOVO NORDISK A/S (DK) 2007-04-19 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 (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 ALDH1A1 3413/4885NOD1 2124/4885ATM 2253/4885
US-20100305125-A1 SALT OF ABT-263 AND SOLID-STATE FORMS THEREOF BCL3, BCL2, BCL2L13 ALDH1A1 4223/4885NOD1 2221/4885ATM 538/4885
US-20100278905-A1 STABILIZED LIPID FORMULATION OF APOPTOSIS PROMOTER BCL2, BAX, BCOR ALDH1A1 3985/4885NOD1 2795/4885ATM 2737/4885

“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.