SCHEMBL3340256

SCHEMBL3340256

Cc1cc(OCCNC(=O)O)ccc1-c1cccc(C(N)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 3/20 0.52
PTPN11 Q06124 1/20 0.47
F10 P00742 2/20 0.46
FFAR1 O14842 3/20 0.43
POLB P06746 1/20 0.43
VEGFA P15692 1/20 0.43
FLT1 P17948 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
FYN P06241 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42

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
SCHEMBL12651359 0.87 PDK2 (0.51) SUCNR1FFAR1VEGFAFLT1EGLN1
SCHEMBL12607509 0.86 SUCNR1 (0.56) SUCNR1PTPN11FFAR1FYNPPARG
Trifluoroacetic Acid SCHEMBL1786397 0.84 SUCNR1 (0.52) SUCNR1PTPN11FFAR1FYNAKR1C3
SCHEMBL12651253 0.80 SUCNR1 (0.43) SUCNR1PTPN11FYNALDH1A1
SCHEMBL1785567 0.80 SUCNR1 (0.47) SUCNR1PTPN11FFAR1FYNAKR1C3
Trifluoroacetic Acid SCHEMBL1785741 0.78 SUCNR1 (0.42) SUCNR1PTPN11FFAR1ALDH1A1
SCHEMBL12607715 0.75 CHEK2 (0.42) SUCNR1F10POLBALDH1A1HPGD
SCHEMBL1786081 0.75 CHEK2 (0.47) SUCNR1PTPN11
SCHEMBL1786301 0.75 CHEK2 (0.47) SUCNR1PTPN11
SCHEMBL21595835 0.74 HPGD (0.63) POLBALDH1A1HPGDMAPK1

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 7 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-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

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-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRD1, OPRK1 SUCNR1 202/4885PTPN11 968/4885F10 3823/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 SUCNR1 319/4885PTPN11 735/4885F10 3992/4885
US-20140100255-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 SUCNR1 319/4885PTPN11 735/4885F10 3992/4885

“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.