SCHEMBL12501993

SCHEMBL12501993

CCCCCCCCCCCCCCCCCCCN1C(=O)C=CC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 8/20 1.00
▸ PTGS1 P23219 7/20 1.00
▸ PTGS2 P35354 7/20 1.00
▸ FAAH O00519 5/20 1.00
▸ ALDH1A1 P00352 3/20 0.77
▸ LMNA P02545 2/20 0.77
▸ MAPT P10636 2/20 0.77
▸ NPSR1 Q6W5P4 2/20 0.77
▸ HSP90AA1 P07900 1/20 0.77
▸ TLR9 Q9NR96 1/20 0.77
▸ TP53 P04637 1/20 0.77
▸ PKM P14618 1/20 0.77
▸ HPGD P15428 1/20 0.77
▸ XBP1 P17861 1/20 0.77
▸ MAPK1 P28482 1/20 0.77
▸ HTT P42858 1/20 0.77
▸ RECQL P46063 1/20 0.77
▸ RAB9A P51151 1/20 0.77
▸ SMN1; SMN2 Q16637 1/20 0.77
▸ GPR35 Q9HC97 1/20 0.77

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
SCHEMBL2181536 1.00 MGLL (1.00) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL36400 1.00 MGLL (1.00) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL9497658 1.00 MGLL (1.00) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL65639 1.00 MGLL (1.00) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL1578741 1.00 MGLL (1.00) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL181709 1.00 MGLL (1.00) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL1578825 1.00 MGLL (1.00) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL357623 1.00 MGLL (1.00) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL208653 1.00 MGLL (1.00) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL209436 1.00 MGLL (1.00) MGLLPTGS1PTGS2FAAHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10618718-B2 Oxygen scavengers APG Polytech, LLC (US) 2020-04-14 — — US disclosed
US-20190233195-A1 OXYGEN SCAVENGERS APG Polytech, LLC (US) 2019-08-01 — — US disclosed
EP-2748084-B1 ARTICLES CONTAINING OXYGEN-SCAVENGING MATERIALS APG POLYTECH LLC (US) 2019-06-12 — — EP disclosed
US-10207853-B2 Oxygen scavengers APG Polytech, LLC (US) 2019-02-19 — — US disclosed
US-20140220281-A1 OXYGEN SCAVENGERS M&G USA CORPORATION (US) 2014-08-07 — — US disclosed
EP-2748084-A1 OXYGEN SCAVENGERS M&G USA Corporation (US) 2014-07-02 — — EP disclosed
WO-2013028290-A1 OXYGEN SCAVENGERS Amyris, Inc. (US) 2013-02-28 — — WO disclosed
WO-2013028289-A1 OXYGEN SCAVENGERS Amyris, Inc. (US) 2013-02-28 — — WO disclosed
WO-2013028307-A1 DERIVATIVES OF HYDROCARBON TERPENES Amyris, Inc. (US) 2013-02-28 — — WO disclosed
WO-2012158250-A1 PLASTICIZERS Amyris, Inc. (US) 2012-11-22 — — WO disclosed
WO-2012103156-A1 SURFACTANTS Amyris, Inc. (US) 2012-08-02 — — 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-10207853-B2 Oxygen scavengers LPO, GPX4, GPX1 MGLL 319/4885PTGS1 193/4885PTGS2 178/4885
US-20190233195-A1 OXYGEN SCAVENGERS LPO, GPX4, GPX1 MGLL 319/4885PTGS1 193/4885PTGS2 178/4885
US-10618718-B2 Oxygen scavengers LPO, GPX4, GPX1 MGLL 319/4885PTGS1 193/4885PTGS2 178/4885

“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.

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