Sugi Predict

Sugi Predict / Compounds / SCHEMBL5453543

SCHEMBL5453543

SCHEMBL5453543

CCOC(=O)C1CC1COCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.49
▸ CA2 P00918 4/20 0.49
▸ CA9 Q16790 4/20 0.49
▸ CA12 O43570 3/20 0.49
▸ FFAR4 Q5NUL3 2/20 0.43
▸ PKM P14618 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ AGTR2 P50052 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
SCHEMBL15927893 1.00 CA1 (0.49) CA1CA2CA9CA12FFAR4
SCHEMBL15927903 1.00 CA1 (0.49) CA1CA2CA9CA12FFAR4
SCHEMBL18630954 1.00 CA1 (0.49) CA1CA2CA9CA12FFAR4
SCHEMBL5925105 1.00 CA1 (0.49) CA1CA2CA9CA12FFAR4
SCHEMBL23970542 1.00 CA1 (0.49) CA1CA2CA9CA12FFAR4
SCHEMBL23970385 1.00 CA1 (0.49) CA1CA2CA9CA12FFAR4
SCHEMBL6412514 0.92 CA12 (0.48) CA1CA2CA9CA12FFAR4
SCHEMBL24408771 0.88 CA1 (0.46) CA1CA2CA9CA12PKM
SCHEMBL22404571 0.88 CA1 (0.46) CA1CA2CA9CA12PKM
SCHEMBL17592796 0.88 CA1 (0.49) CA1CA2CA9CA12FFAR4

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024073678-A2 PHOSPHOLIPIDS CONTAINING A HETEROCYCLE RING HAVING A TERTIARY AMINE OR AMIDE OMEGA THERAPEUTICS, INC. (US) 2024-04-04 — — WO disclosed
EP-3350177-B1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-07-07 — — EP disclosed
WO-2021023247-A1 KRAS MUTANT PROTEIN INHIBITOR JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2021-02-11 — — WO disclosed
CN-105392777-B Biaryl derivatives as GPR120 agonists 株式会社LG化学 2020-09-22 — — CN disclosed
EP-3013796-B9 BIARYL DERIVATIVES AS GPR120 AGONISTS LG CHEMICAL LTD (KR) 2020-07-01 — — EP disclosed
EP-3628661-A1 BIARYL DERIVATIVES AS GPR120 AGONISTS LG CHEM, LTD. (KR) 2020-04-01 — — EP disclosed
US-10392375-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-08-27 — — US disclosed
US-10221138-B2 Biaryl derivatives as GPR120 agonists LG CHEM, LTD. (KR) 2019-03-05 — — US disclosed
US-10059701-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2018-08-28 — — US disclosed
US-20180237426-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2018-08-23 — — US disclosed
WO-2014209034-A1 BIARYL DERIVATIVES AS GPR120 AGONISTS LG LIFE SCIENCES LTD. (KR) 2014-12-31 — — WO disclosed
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 — — US disclosed
EP-1670804-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC Biotech AG (DE) 2006-06-21 — — EP disclosed
US-20060128765-A1 2-(Bicyclo)alkylamino-derivatives as mediators of chronic pain and inflammation MERCK & CO., INC. 2006-06-15 — — US disclosed
US-20050288526-A1 Process for production of 2-(hydroxymethyl)cyclo-propanecarboxylic acids SUMITOMO CHEMICAL COMPAY LIMTED (JP) 2005-12-29 — — US disclosed
US-6943184-B2 1,1- and 1,2-disubstituted cyclopropane compounds LES LABORATORIES SERVIER (FR) 2005-09-13 — — US disclosed
EP-1538141-A1 PROCESS FOR PRODUCTION OF 2-(HYDROXYMETHYL)CYCLO- PROPANECARBOXYLIC ACIDS Sumitomo Chemical Company, Limited (JP) 2005-06-08 — — EP disclosed
WO-2005023818-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC BIOTECH AG (DE) 2005-03-17 — — WO disclosed
US-20050032845-A1 1,1-and 1,2-disubstituted cyclopropane compounds GOLDSTEIN SOLO (FR) 2005-02-10 — — US disclosed
US-20020022643-A1 1,1- and 1,2-disubstituted cyclopropane compounds ADIR ET COMPAGNIE (FR) 2002-02-21 — — 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 (9 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-20060128765-A1 2-(Bicyclo)alkylamino-derivatives as mediators of chronic pain and inflammation BDKRB1, BDKRB2, LTB4R2 CA1 3387/4885CA2 2547/4885CA9 4030/4885
US-20050032845-A1 1,1-and 1,2-disubstituted cyclopropane compounds CHRNA1, CHRNA4, CHRNB1 CA1 1627/4885CA2 980/4885CA9 1712/4885
US-20180237426-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 CA1 4867/4885CA2 4630/4885CA9 4758/4885
US-20020022643-A1 1,1- and 1,2-disubstituted cyclopropane compounds HCAR1, CHRNA1, CNR1 CA1 1587/4885CA2 818/4885CA9 1513/4885
US-10392375-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof IRAK2, IRAK3, IRAK1 CA1 4867/4885CA2 4630/4885CA9 4758/4885
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents TBCA, PARK7, NFATC1 CA1 4570/4885CA2 3938/4885CA9 3490/4885
US-20050288526-A1 Process for production of 2-(hydroxymethyl)cyclo-propanecarboxylic acids GRHPR, PCCA, C5 CA1 143/4885CA2 379/4885CA9 655/4885
US-10221138-B2 Biaryl derivatives as GPR120 agonists GPR119, GLP1R, GIPR CA1 4785/4885CA2 3742/4885CA9 4522/4885
US-10059701-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof IRAK2, IRAK3, IRAK1 CA1 4867/4885CA2 4630/4885CA9 4758/4885

“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.