SCHEMBL120629

SCHEMBL120629

CCCCCCCCCCCCCCCCCCOC(=O)[C@H](CC[Se]C)NC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 7/20 0.47
NOD1 Q9Y239 2/20 0.44
EPHX1 P07099 1/20 0.41
TSHR P16473 2/20 0.41
TLR2 O60603 2/20 0.40
NAAA Q02083 1/20 0.40
SIRT6 Q8N6T7 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
PLA2G2A P14555 2/20 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
SCHEMBL27864511 1.00 PLA2G2C (0.47) PLA2G2CNOD1EPHX1TSHRTLR2
SCHEMBL112227 1.00 PLA2G2C (0.47) PLA2G2CNOD1EPHX1TSHRTLR2
SCHEMBL113586 1.00 PLA2G2C (0.47) PLA2G2CNOD1EPHX1TSHRTLR2
SCHEMBL123106 1.00 PLA2G2C (0.47) PLA2G2CNOD1EPHX1TSHRTLR2
SCHEMBL112318 1.00 PLA2G2C (0.47) PLA2G2CNOD1EPHX1TSHRTLR2
SCHEMBL111655 0.94 ALDH1A1 (0.42) PLA2G2CNOD1TSHRTLR2SIRT6
SCHEMBL113195 0.88 PLA2G2C (0.35) PLA2G2CNOD1TLR2SIRT6SIRT1
SCHEMBL110196 0.82 L3MBTL1 (0.46) NOD1
SCHEMBL468843 0.81 KMT2A (0.51) PLA2G2CNOD1NAAAPLA2G2A
SCHEMBL468841 0.81 KMT2A (0.51) PLA2G2CNOD1NAAAPLA2G2A

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 12 patents. 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-8728516-B2 Stabilized lipid formulation of apoptosis promoter ABBVIE INC. (US) 2014-05-20 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
CN-102695702-A ABT-263 crystalline forms and solvates for the treatment of diseases associated with the BCL-2 protein ABBOTT LAB 2012-09-26 CN disclosed
EP-2442789-A1 STABLE NANOPARTICULATE DRUG SUSPENSION Abbott Laboratories (US) 2012-04-25 EP disclosed
CN-102414186-A Salts of ABT-263 and solid forms thereof ABBOTT LAB 2012-04-11 CN 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-20100305125-A1 SALT OF ABT-263 AND SOLID-STATE FORMS THEREOF ABBVIE INC. 2010-12-02 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-20110071151-A1 ABT-263 CRYSTALLINE FORMS BCL3, BCL2, BCL2L13 PLA2G2C 3243/4885NOD1 631/4885EPHX1 4857/4885
US-20100305125-A1 SALT OF ABT-263 AND SOLID-STATE FORMS THEREOF BCL3, BCL2, BCL2L13 PLA2G2C 1899/4885NOD1 2221/4885EPHX1 4845/4885
US-20100278905-A1 STABILIZED LIPID FORMULATION OF APOPTOSIS PROMOTER BCL2, BAX, BCOR PLA2G2C 631/4885NOD1 2795/4885EPHX1 4584/4885

“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.