SCHEMBL3439277

SCHEMBL3439277

N#CCC(O)CC(=O)CC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.37
GABRR1 P24046 2/20 0.32
LMNA P02545 1/20 0.32
LDHA P00338 1/20 0.32
SRR Q9GZT4 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL5829248 1.00 SLC22A6 (0.37) SLC22A6GABRR1LMNALDHASRR
SCHEMBL1135986 1.00 SLC22A6 (0.37) SLC22A6GABRR1LMNALDHASRR
SCHEMBL197015 0.82
SCHEMBL198166 0.82
SCHEMBL197016 0.82
SCHEMBL6928106 0.80 SLC22A6 (0.55) SLC22A6GABRR1LMNASMN1; SMN2
SCHEMBL6928966 0.80 SLC22A6 (0.55) SLC22A6GABRR1LMNASMN1; SMN2
SCHEMBL6928104 0.80 SLC22A6 (0.55) SLC22A6GABRR1LMNASMN1; SMN2
SCHEMBL6928974 0.80 SLC22A6 (0.55) SLC22A6GABRR1LMNASMN1; SMN2
SCHEMBL1635793 0.80 SLC22A6 (0.55) SLC22A6GABRR1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117326977-A Preparation method of 6-cyano-5-hydroxy-3-oxo caproate 浙江财和生物科技有限公司 2024-01-02 CN claimed
EP-4396187-A1 NAPHTHYRIDINE COMPOUNDS AS INHIBITORS OF KRAS Incyte Corporation (US) 2024-07-10 EP disclosed
US-12030884-B2 Pyrazoloquinoline KRAS inhibitors INCYTE CORPORATION (US) 2024-07-09 US disclosed
EP-4367117-A1 TRICYCLIC COMPOUNDS AS INHIBITORS OF KRAS Incyte Corporation (US) 2024-05-15 EP disclosed
US-11939328-B2 Quinoline compounds as inhibitors of KRAS INCYTE CORPORATION (US) 2024-03-26 US disclosed
CN-117326977-A Preparation method of 6-cyano-5-hydroxy-3-oxo caproate 浙江财和生物科技有限公司 2024-01-02 CN disclosed
CN-117326977-A Preparation method of 6-cyano-5-hydroxy-3-oxo caproate 浙江财和生物科技有限公司 2024-01-02 CN disclosed
CN-117326977-A Preparation method of 6-cyano-5-hydroxy-3-oxo caproate 浙江财和生物科技有限公司 2024-01-02 CN disclosed
US-20230174555-A1 NAPHTHYRIDINE COMPOUNDS AS INHIBITORS OF KRAS INCYTE CORPORATION 2023-06-08 US disclosed
US-20230144051-A1 QUINOLINE COMPOUNDS AS INHIBITORS OF KRAS INCYTE CORPORATION 2023-05-11 US disclosed
US-20070161094-A1 Enzymatic processes for the production of 4-substituted 3-hydroxybutyric acid derivatives CODEXIS, INC. (US) 2007-07-12 US disclosed
WO-2007073875-A1 METHOD FOR THE ENANTIOSELECTIVE ENZYMATIC REDUCTION OF HYDROXYKETO COMPOUNDS IEP GMBH (DE) 2007-07-05 WO disclosed
US-7132267-B2 Enzymatic processes for the production of 4-substituted 3-hydroxybutyric acid derivatives and vicinal cyano, hydroxy substituted carboxylic acid esters CODEXIS, INC. (US) 2006-11-07 US disclosed
EP-1660669-A2 ENZYMATIC PROCESSES FOR THE PRODUCTION OF 4-SUBSTITUTED 3-HYDROXYBUTYRIC ACID DERIVATIVES AND VICINAL CYANO, HYDROXY SUBSTITUTED CARBOXYLIC ACID ESTERS Codexis, Inc. (US) 2006-05-31 EP disclosed
WO-2005026107-A1 NOVEL PROCESS FOR THE PREPARATION OF TERT-BUTYL 6-CYANO-5-HYDROXY-3-OXOHEXANOATE BIOCON LIMITED (IN) 2005-03-24 WO disclosed
WO-2005018579-A2 ENZYMATIC PROCESSES FOR THE PRODUCTION OF 4-SUBSTITUTED 3-HYDROXYBUTYRIC ACID DERIVATIVES AND VICINAL CYANO, HYDROXY SUBSTITUTED CARBOXYLIC ACID ESTERS CODEXIS, INC. (US) 2005-03-03 WO disclosed
US-20040214297-A1 Enzymatic processes for the production of 4-substituted 3-hydroxybutyric acid derivatives CODEXIS, INC. 2004-10-28 US disclosed
WO-2002096915-A1 PROCESS FOR PRODUCING OPTICALLY PURE Δ - HYDROXY-Β -KETOESTER DERIVATIVES SAMSUNG FINE CHEMICALS CO., LTD. (KR) 2002-12-05 WO disclosed
EP-0643689-A1 IMPROVED PROCESS FOR THE SYNTHESIS OF (5R)-1,1-DIMETHYLETHYL 6-CYANO-5-HYDROXY-3-OXO-HEXANOATE WARNER-LAMBERT COMPANY (US) 1995-03-22 EP disclosed
WO-1993007115-A1 IMPROVED PROCESS FOR THE SYNTHESIS OF (5R)-1,1-DIMETHYLETHYL 6-CYANO-5-HYDROXY-3-OXO-HEXANOATE WARNER-LAMBERT COMPANY (US) 1993-04-15 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 (4 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-20230144051-A1 QUINOLINE COMPOUNDS AS INHIBITORS OF KRAS KRAS, NRAS, HRAS SLC22A6 3852/4885GABRR1 1911/4885LMNA 2409/4885
US-20230174555-A1 NAPHTHYRIDINE COMPOUNDS AS INHIBITORS OF KRAS KRAS, NRAS, HRAS SLC22A6 4099/4885GABRR1 2756/4885LMNA 1362/4885
US-12030884-B2 Pyrazoloquinoline KRAS inhibitors KRAS, NRAS, HRAS SLC22A6 4529/4885GABRR1 1678/4885LMNA 2585/4885
US-11939328-B2 Quinoline compounds as inhibitors of KRAS KRAS, NRAS, HRAS SLC22A6 3852/4885GABRR1 1911/4885LMNA 2409/4885

“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.