SCHEMBL1785537

SCHEMBL1785537

CCOC(COc1cccc(B(O)O)c1)OCC

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 6/20 0.51
LPL P06858 2/20 0.39
LIPG Q9Y5X9 2/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MGLL Q99685 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL2562610 0.86 ENPP2 (0.61) ENPP2LPLLIPGTSHRMAPK1
SCHEMBL2557509 0.85 ENPP2 (0.49) ENPP2LPLLIPGTSHRMAPK1
SCHEMBL6297991 0.84 MAPK1 (0.46) TSHRMAPK1HIF1ATP53CYP3A4
SCHEMBL8553 0.82 ENPP2 (0.63) ENPP2LPLLIPGMAPK1TP53
SCHEMBL691975 0.81 ENPP2 (0.58) ENPP2TSHRMAPK1HIF1AKDM4E
SCHEMBL2558465 0.80 ENPP2 (0.53) ENPP2LPLLIPGTSHRMAPK1
SCHEMBL14431806 0.80 USP2 (0.45) TP53CYP3A4
SCHEMBL2554457 0.79 ENPP2 (0.55) ENPP2LPLLIPGTSHRMAPK1
SCHEMBL2561288 0.78 ENPP2 (0.50) ENPP2LPLLIPGHIF1A
SCHEMBL22069660 0.78 ADRB2 (0.50) MEN1KMT2A

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors GLAXOSMITHKLINE LLC 2014-10-30 US disclosed
US-8822518-B2 Compounds as antagonists or inverse agonists of opioid receptors for treatment of addiction GLAXOSMITHKLINE LLC (US) 2014-09-02 US disclosed
US-20140100255-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors GLAXOSMITHKLINE LLC (US) 2014-04-10 US disclosed
US-8633175-B2 Compounds as antagonists or inverse agonists at opioid receptors GLAXOSMITHKLINE LLC (US) 2014-01-21 US disclosed
US-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2011-05-26 US disclosed
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS IGNAR DIANE MICHELE 2010-05-06 US disclosed
EP-2054383-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SmithKline Beecham Corporation (US) 2009-05-06 EP disclosed
WO-2008021849-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 WO disclosed
US-20050026836-A1 Composition for the treatment of damaged tissue DACK KEVIN NEIL (GB) 2005-02-03 US disclosed
US-20030199440-A1 Composition for the treatment of damaged tissue PFIZER INC. 2003-10-23 US disclosed
EP-1181017-B1 METALLOPROTEASE INHIBITORS PFIZER LTD (GB) 2003-04-16 EP disclosed
US-6511993-B1 Substituted alpha-aminosulphonyl-acetohydroxamic acids which are inhibitors of zinc-dependent metalloprotease enzymes PFIZER INC. 2003-01-28 US disclosed
EP-1242120-A2 COMBINATIONS OF GROWTH FACTORS AND I:UPA OR I:MMP FOR THE TREATMENT OF DAMAGED TISSUE Pfizer Limited (GB) 2002-09-25 EP disclosed
EP-1181017-A1 METALLOPROTEASE INHIBITORS Pfizer Limited (GB) 2002-02-27 EP disclosed
WO-2001049309-A2 COMBINATIONS OF GROWTH FACTORS AND I: UPA OR I: MMP FOR THE TREATMENT OF DAMAGED TISSUE PFIZER LIMITED (GB) 2001-07-12 WO disclosed
WO-2000074681-A1 METALLOPROTEASE INHIBITORS PFIZER LIMITED (GB) 2000-12-14 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 (6 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-20030199440-A1 Composition for the treatment of damaged tissue MMP1, SERPINE1, COL14A1 ENPP2 651/4885LPL 354/4885LIPG 83/4885
US-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 ENPP2 869/4885LPL 4096/4885LIPG 4624/4885
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRD1, OPRK1 ENPP2 618/4885LPL 1352/4885LIPG 3608/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 ENPP2 869/4885LPL 4096/4885LIPG 4624/4885
US-20050026836-A1 Composition for the treatment of damaged tissue MMP1, SERPINE1, COL14A1 ENPP2 651/4885LPL 354/4885LIPG 83/4885
US-20140100255-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 ENPP2 869/4885LPL 4096/4885LIPG 4624/4885

“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.