SCHEMBL11795304

SCHEMBL11795304

CCOP(=O)(OCC)C(N)C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ GAA P10253 3/20 0.38
▸ POLB P06746 1/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP2D6 P10635 1/20 0.34
▸ ALOX15 P16050 1/20 0.33

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
SCHEMBL11085863 0.79 CYP2C9 (0.38) CYP2C9CYP2C19CYP3A4GAAPOLB
SCHEMBL10400040 0.79 POLB (0.43) CYP2C9CYP2C19CYP3A4GAAPOLB
SCHEMBL2034964 0.79 SMN1; SMN2 (0.37) CYP2C19CA12CA1CA2CA9
SCHEMBL13790227 0.78 GAA (0.42) CYP2C9CYP2C19CYP3A4GAAPOLB
SCHEMBL1691829 0.78 GAA (0.42) CYP2C9CYP2C19CYP3A4GAAPOLB
SCHEMBL10457084 0.77 CYP2C9 (0.43) CYP2C9CYP2C19CYP3A4GAAPOLB
SCHEMBL689523 0.76 CYP3A4 (0.41) CYP2C9CYP2C19CYP3A4GAAPOLB
SCHEMBL5100575 0.76 CYP3A4 (0.41) CYP2C9CYP2C19CYP3A4GAAPOLB
SCHEMBL16761024 0.76 CYP3A4 (0.41) CYP2C9CYP2C19CYP3A4GAAPOLB
SCHEMBL9304618 0.76 CYP3A4 (0.41) CYP2C9CYP2C19CYP3A4GAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160039796-A1 BARETTIN AND DERIVATIVES THEREOF FOR MEDICAL USE, IN PARTICULAR FOR THE TREATMENT OF DISEASES RELATED TO OXIDATIVE STRESS OR INFLAMMATION, AND FOR PRESERVING OR WASHING ORGANS ABC BIOSCIENCE AS (NO) 2016-02-11 — — US disclosed
US-20160039796-A1 BARETTIN AND DERIVATIVES THEREOF FOR MEDICAL USE, IN PARTICULAR FOR THE TREATMENT OF DISEASES RELATED TO OXIDATIVE STRESS OR INFLAMMATION, AND FOR PRESERVING OR WASHING ORGANS ABC BIOSCIENCE AS (NO) 2016-02-11 — — US disclosed
US-20160039796-A1 BARETTIN AND DERIVATIVES THEREOF FOR MEDICAL USE, IN PARTICULAR FOR THE TREATMENT OF DISEASES RELATED TO OXIDATIVE STRESS OR INFLAMMATION, AND FOR PRESERVING OR WASHING ORGANS ABC BIOSCIENCE AS (NO) 2016-02-11 — — US disclosed
EP-2981251-A1 BARETTIN AND DERIVATIVES THEREOF FOR MEDICAL USE, IN PARTICULAR FOR THE TREATMENT OF DISEASES RELATED TO OXIDATIVE STRESS OR INFLAMMATION, AND FOR PRESERVING OR WASHING ORGANS ABC Bioscience AS (NO) 2016-02-10 — — EP disclosed
CN-105120851-A BARETTIN and derivatives thereof for medical use, in particular for the treatment of diseases related to oxidative stress or inflammation, and for preserving or washing organs ABC BIOSCIENCE AS 2015-12-02 — — CN disclosed
WO-2014162010-A1 BARETTIN AND DERIVATIVES THEREOF FOR MEDICAL USE, IN PARTICULAR FOR THE TREATMENT OF DISEASES RELATED TO OXIDATIVE STRESS OR INFLAMMATION, AND FOR PRESERVING OR WASHING ORGANS ABC BIOSCIENCE AS (NO) 2014-10-09 — — WO disclosed
WO-2014162010-A1 BARETTIN AND DERIVATIVES THEREOF FOR MEDICAL USE, IN PARTICULAR FOR THE TREATMENT OF DISEASES RELATED TO OXIDATIVE STRESS OR INFLAMMATION, AND FOR PRESERVING OR WASHING ORGANS ABC BIOSCIENCE AS (NO) 2014-10-09 — — WO disclosed
US-3962224-A CHEMICAL INTERMEDIATES FOR ANTIBIOTICS MERCK & CO., INC. (US) 1976-06-08 — — 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 (1 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-20160039796-A1 BARETTIN AND DERIVATIVES THEREOF FOR MEDICAL USE, IN PARTICULAR FOR THE TREATMENT OF DISEASES RELATED TO OXIDATIVE STRESS OR INFLAMMATION, AND FOR PRESERVING OR WASHING ORGANS TYR, CAT, MPO CYP2C9 2033/4885CYP2C19 930/4885CYP3A4 2602/4885

“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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