SCHEMBL113196

SCHEMBL113196

CCCOC(=O)[C@@H](CS)NC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
NFKB1 P19838 1/20 0.35
PTGS2 P35354 1/20 0.35
THPO P40225 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
ALDH1A1 P00352 4/20 0.33
ANPEP P15144 1/20 0.33
ENPEP Q07075 1/20 0.33
EPHX1 P07099 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ACE P12821 1/20 0.32
LMNA P02545 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32

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
SCHEMBL121805 0.89 ALDH1A1 (0.45) SMN1; SMN2MAPTHCAR2ALDH1A1EPHX1
SCHEMBL121806 0.89 ALDH1A1 (0.45) SMN1; SMN2MAPTHCAR2ALDH1A1EPHX1
SCHEMBL122567 0.89 ALDH1A1 (0.45) SMN1; SMN2MAPTHCAR2ALDH1A1EPHX1
SCHEMBL121408 0.85 EPHX1 (0.53) HCAR2ALDH1A1EPHX1LMNATSHR
SCHEMBL121407 0.85 EPHX1 (0.53) HCAR2ALDH1A1EPHX1LMNATSHR
SCHEMBL111373 0.85 EPHX1 (0.53) HCAR2ALDH1A1EPHX1LMNATSHR
SCHEMBL112043 0.85 EPHX1 (0.53) HCAR2ALDH1A1EPHX1LMNATSHR
SCHEMBL113441 0.85 EPHX1 (0.53) HCAR2ALDH1A1EPHX1LMNATSHR
SCHEMBL111056 0.85 EPHX1 (0.53) HCAR2ALDH1A1EPHX1LMNATSHR
SCHEMBL109499 0.85 EPHX1 (0.53) HCAR2ALDH1A1EPHX1LMNATSHR

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-2515883-A1 ABT-263 CAPSULE Abbott Laboratories (US) 2012-10-31 EP disclosed
EP-2477972-A1 ABT-263 CRYSTALLINE FORMS AND SOLVATES FOR USE IN TREATING BCL-2 PROTEIN RELATED DISEASES Abbott Laboratories (US) 2012-07-25 EP disclosed
EP-2442789-A1 STABLE NANOPARTICULATE DRUG SUSPENSION Abbott Laboratories (US) 2012-04-25 EP disclosed
US-20110071151-A1 ABT-263 CRYSTALLINE FORMS ABBOTT LABORATORIES (US) 2011-03-24 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 (5 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 KDM4E 3979/4885SMN1; SMN2 99/4885MAPT 2888/4885
US-20100297194-A1 FORMULATION FOR ORAL ADMINISTRATION OF APOPTOSIS PROMOTER BCL2, BAX, BCL2L2 KDM4E 3231/4885SMN1; SMN2 775/4885MAPT 3031/4885
US-20110071151-A1 ABT-263 CRYSTALLINE FORMS BCL3, BCL2, BCL2L13 KDM4E 2717/4885SMN1; SMN2 620/4885MAPT 422/4885
US-20100305125-A1 SALT OF ABT-263 AND SOLID-STATE FORMS THEREOF BCL3, BCL2, BCL2L13 KDM4E 2719/4885SMN1; SMN2 353/4885MAPT 463/4885
US-20100278905-A1 STABILIZED LIPID FORMULATION OF APOPTOSIS PROMOTER BCL2, BAX, BCOR KDM4E 3045/4885SMN1; SMN2 820/4885MAPT 3440/4885

“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.