SCHEMBL112043

SCHEMBL112043

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

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.53
NAAA Q02083 1/20 0.47
FAAH O00519 1/20 0.44
ACHE P22303 6/20 0.43
TSHR P16473 3/20 0.43
HCAR2 Q8TDS4 1/20 0.41
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NOD1 Q9Y239 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL111373 1.00 EPHX1 (0.53) EPHX1NAAAFAAHACHETSHR
SCHEMBL113441 1.00 EPHX1 (0.53) EPHX1NAAAFAAHACHETSHR
SCHEMBL121408 1.00 EPHX1 (0.53) EPHX1NAAAFAAHACHETSHR
SCHEMBL121407 1.00 EPHX1 (0.53) EPHX1NAAAFAAHACHETSHR
SCHEMBL111056 1.00 EPHX1 (0.53) EPHX1NAAAFAAHACHETSHR
SCHEMBL109499 1.00 EPHX1 (0.53) EPHX1NAAAFAAHACHETSHR
SCHEMBL121805 0.93 ALDH1A1 (0.45) EPHX1NAAAACHETSHRHCAR2
SCHEMBL121806 0.93 ALDH1A1 (0.45) EPHX1NAAAACHETSHRHCAR2
SCHEMBL122567 0.93 ALDH1A1 (0.45) EPHX1NAAAACHETSHRHCAR2
SCHEMBL113196 0.85 KDM4E (0.35) EPHX1ACHETSHRHCAR2ALDH1A1

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
WO-2011034934-A1 ABT-263 CRYSTALLINE FORMS AND SOLVATES FOR USE IN TREATING BCL-2 PROTEIN RELATED DISEASES ABBOTT LABORATORIES (US) 2011-03-24 WO disclosed
US-20100323020-A1 STABLE NANOPARTICULATE DRUG SUSPENSION ABBOTT LABORATORIES (US) 2010-12-23 US disclosed
WO-2010147899-A1 STABLE NANOPARTICULATE DRUG SUSPENSION ABBOTT LABORATORIES (US) 2010-12-23 WO 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
US-20100278905-A1 STABILIZED LIPID FORMULATION OF APOPTOSIS PROMOTER ABBVIE INC. 2010-11-04 US disclosed
WO-2010127193-A1 STABILIZED LIPID FORMULATION OF APOPTOSIS PROMOTER ABBOTT LABORATORIES (US) 2010-11-04 WO 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 EPHX1 4611/4885NAAA 4361/4885FAAH 3377/4885
US-20100297194-A1 FORMULATION FOR ORAL ADMINISTRATION OF APOPTOSIS PROMOTER BCL2, BAX, BCL2L2 EPHX1 4586/4885NAAA 4756/4885FAAH 2685/4885
US-20100305125-A1 SALT OF ABT-263 AND SOLID-STATE FORMS THEREOF BCL3, BCL2, BCL2L13 EPHX1 4845/4885NAAA 4230/4885FAAH 3034/4885
US-20100278905-A1 STABILIZED LIPID FORMULATION OF APOPTOSIS PROMOTER BCL2, BAX, BCOR EPHX1 4584/4885NAAA 4513/4885FAAH 1660/4885

“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.