Sugi Predict

Sugi Predict / Compounds / SCHEMBL4091544

SCHEMBL4091544

SCHEMBL4091544

CCC(CC(=O)O)=C(CC)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FFAR3 O14843 2/20 0.43
▸ GRIK1 P39086 1/20 0.42
▸ GRIA4 P48058 1/20 0.42
▸ GRIK3 Q13003 1/20 0.42
▸ GRIK5 Q16478 1/20 0.42
▸ LDHA P00338 1/20 0.38
▸ SRR Q9GZT4 1/20 0.38
▸ FNTA P49354 2/20 0.34
▸ FNTB P49356 2/20 0.34
▸ HDAC3 O15379 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ TDP1 Q9NUW8 2/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ PGGT1B P53609 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
SCHEMBL7755782 0.84 GRIK1 (0.54) FFAR3GRIK1GRIA4GRIK3GRIK5
SCHEMBL676153 0.82 GRIK1 (0.48) FFAR3GRIK1GRIA4GRIK3GRIK5
SCHEMBL13304621 0.81 FFAR3 (0.56) FFAR3GRIK1GRIA4GRIK3GRIK5
SCHEMBL6520602 0.79 GRIK1 (0.38) FFAR3GRIK1GRIA4GRIK3GRIK5
SCHEMBL6516114 0.79 GRIK1 (0.38) FFAR3GRIK1GRIA4GRIK3GRIK5
SCHEMBL17706779 0.79 FFAR3 (0.47) FFAR3GRIK1GRIA4GRIK3GRIK5
SCHEMBL17706737 0.79 FFAR3 (0.47) FFAR3GRIK1GRIA4GRIK3GRIK5
SCHEMBL17706738 0.79 FFAR3 (0.47) FFAR3GRIK1GRIA4GRIK3GRIK5
SCHEMBL28065698 0.75 FFAR3 (0.43) FFAR3GRIK1GRIA4GRIK3GRIK5
SCHEMBL25283180 0.75 FFAR3 (0.43) FFAR3GRIK1GRIA4GRIK3GRIK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0674233-B1 Recording sheets XEROX CORP (US) 2000-05-24 — — EP claimed
US-20090170813-A1 Hypophosphorous Acid Derivatives and their Therapeutical Applications CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2009-07-02 — — US disclosed
US-7425557-B2 Inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-16 — — US disclosed
EP-1937699-A2 HYPOPHOSPHOROUS ACID DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2008-07-02 — — EP disclosed
WO-2007052169-A2 HYPOPHOSPHOROUS ACID DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2007-05-10 — — WO disclosed
US-7045519-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-16 — — US disclosed
US-7037918-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-02 — — US disclosed
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-04-27 — — US disclosed
EP-1087963-B1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORP (US) 2004-08-25 — — EP disclosed
US-20030130289-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2003-07-10 — — US disclosed
EP-0459561-B1 Dioxo-tetrahydroquinoline derivatives MERCK SHARP & DOHME (GB) 1995-09-20 — — EP disclosed
EP-0366301-B1 Preparation of 1,4-diazabicyclo [3.2.2]nonane PFIZER (US) 1994-08-31 — — EP disclosed
US-5268378-A Oxo group in 2 and 4 position MERCK SHARP & DOHME, LIMITED (GB) 1993-12-07 — — US disclosed
US-5231102-A Tetrahydroquinoline derivatives useful for neurodegenerative disorders MERCK SHARP & DOHME, LTD. (GB) 1993-07-27 — — US disclosed
EP-0459561-A2 Dioxo-tetrahydroquinoline derivatives MERCK SHARP & DOHME LTD. (GB) 1991-12-04 — — EP disclosed
US-5026845-A 1,4-diazabicyclo[3.2.2.]nonane and intermediates for the preparation thereof FRIEDMANN ROBERT C (US) 1991-06-25 — — US disclosed
EP-0386839-A2 Tetrahydroquinoline derivatives useful for neurodegenerative disorders MERCK SHARP & DOHME LTD. (GB) 1990-09-12 — — EP disclosed
EP-0366301-A2 Preparation of 1,4-diazabicyclo [3.2.2]nonane PFIZER INC. (US) 1990-05-02 — — EP disclosed
US-4895943-A Preparation of 1,4-diazabicyclo(3.2.2)nonane PFIZER INC. (US) 1990-01-23 — — US disclosed
US-4113705-A Triisocyanates useful for the production of polyurethane resins BAYER AKTIENGESELLSCHAFT (DE) 1978-09-12 — — 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 (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-20030130289-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB FFAR3 2497/4885GRIK1 595/4885GRIA4 1627/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB FFAR3 2681/4885GRIK1 627/4885GRIA4 1622/4885
US-20090170813-A1 Hypophosphorous Acid Derivatives and their Therapeutical Applications P4HA1, CYP2R1, EGLN3 FFAR3 288/4885GRIK1 2607/4885GRIA4 1376/4885

“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.