SCHEMBL112746

SCHEMBL112746

CCOC(=O)C(CCSC)NC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPID Q08752 1/20 0.53
DRD1 P21728 1/20 0.48
METAP2 P50579 1/20 0.48
METAP1 P53582 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 1/20 0.43
USP2 O75604 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
CYP2C9 P11712 1/20 0.42
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41

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
SCHEMBL112747 1.00 PPID (0.53) PPIDDRD1METAP2METAP1L3MBTL1
SCHEMBL752327 0.94 DRD1 (0.50) PPIDDRD1METAP2METAP1L3MBTL1
SCHEMBL28016251 0.94 DRD1 (0.50) PPIDDRD1METAP2METAP1L3MBTL1
SCHEMBL113048 0.87 L3MBTL1 (0.44) PPIDDRD1L3MBTL1GAAALDH1A1
SCHEMBL113049 0.87 L3MBTL1 (0.44) PPIDDRD1L3MBTL1GAAALDH1A1
SCHEMBL111170 0.86 ALDH1A1 (0.56) L3MBTL1KMT2AGAAALDH1A1USP2
SCHEMBL11205882 0.86 ALDH1A1 (0.56) L3MBTL1KMT2AGAAALDH1A1USP2
SCHEMBL111169 0.86 ALDH1A1 (0.56) L3MBTL1KMT2AGAAALDH1A1USP2
SCHEMBL111322 0.84 L3MBTL1 (0.42) PPIDDRD1L3MBTL1GAAALDH1A1
SCHEMBL111323 0.84 L3MBTL1 (0.42) PPIDDRD1L3MBTL1GAAALDH1A1

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 34 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-2010127190-A1 SALT OF ABT-263 AND SOLID-STATE FORMS THEREOF 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-2010127198-A1 FORMULATION FOR ORAL ADMINISTRATION OF APOPTOSIS PROMOTER ABBOTT LABORATORIES (US) 2010-11-04 WO disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-4367344-A CYCLIZATION, 2-CYCLOAMINO-4-METHYLTHIOBUTANOIC ESTER BAYER AKTIENGESELLSCHAFT (DE) 1983-01-04 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 (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-20100297194-A1 FORMULATION FOR ORAL ADMINISTRATION OF APOPTOSIS PROMOTER BCL2, BAX, BCL2L2 PPID 2103/4885DRD1 3563/4885METAP2 3633/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 PPID 2082/4885DRD1 1164/4885METAP2 722/4885
US-20100305125-A1 SALT OF ABT-263 AND SOLID-STATE FORMS THEREOF BCL3, BCL2, BCL2L13 PPID 3254/4885DRD1 4220/4885METAP2 3086/4885
US-20100278905-A1 STABILIZED LIPID FORMULATION OF APOPTOSIS PROMOTER BCL2, BAX, BCOR PPID 2804/4885DRD1 3579/4885METAP2 4253/4885

“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.