Sugi Predict

Sugi Predict / Compounds / SCHEMBL391323

SCHEMBL391323

SCHEMBL391323

CCOC(=O)CC(=O)C(C)C(=O)OCC

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.58
▸ MGAM O43451 1/20 0.58
▸ SI P14410 1/20 0.58
▸ MGAM2 Q2M2H8 1/20 0.58
▸ ALDH1A1 P00352 5/20 0.43
▸ TRPA1 O75762 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KMT2A Q03164 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ GSK3A P49840 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ ALOX15 P16050 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL17117349 1.00 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL9364972 0.89 MGAM (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL12451732 0.85 GAA (0.56) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL9290251 0.85 GAA (0.56) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28756042 0.83 ALDH1A1 (0.42) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL17109652 0.83 ALDH1A1 (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL907536 0.83 ALDH1A1 (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL182126 0.82 GAA (0.64) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11060292 0.81 CYP1A2 (0.45) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28825664 0.80 GAA (0.61) GAAMGAMSIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109320513-B Method for synthesizing trametinib 安庆奇创药业有限公司 2021-03-16 — — CN claimed
US-20240083861-A1 HSD17B13 INHIBITORS AND USES THEREOF FL2022-001, INC. 2024-03-14 — — US disclosed
EP-4221703-A1 HSD17B13 INHIBITORS AND USES THEREOF FL2022-001, Inc. (US) 2023-08-09 — — EP disclosed
WO-2022072517-A1 HSD17B13 INHIBITORS AND USES THEREOF METACRINE, INC. (US) 2022-04-07 — — WO disclosed
CN-109627239-B Inhibitors of fibroblast growth factor receptors 缆图药品公司 2021-10-12 — — CN disclosed
EP-2872491-B1 INHIBITORS OF THE FIBROBLAST GROWTH FACTOR RECEPTOR BLUEPRINT MEDICINES CORP (US) 2021-05-05 — — EP disclosed
CN-109320513-B Method for synthesizing trametinib 安庆奇创药业有限公司 2021-03-16 — — CN disclosed
CN-109320513-B Method for synthesizing trametinib 安庆奇创药业有限公司 2021-03-16 — — CN disclosed
EP-2930170-B1 PYRIDONE COMPOUND FOR USE IN THE TREATMENT OF DERMATOLOGICAL DISORDERS KYOWA KIRIN CO LTD (JP) 2020-02-05 — — EP disclosed
US-10196436-B2 Inhibitors of the fibroblast growth factor receptor BLUEPRINT MEDICINES CORPORATION (US) 2019-02-05 — — US disclosed
EP-1682138-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2006-07-26 — — EP disclosed
US-7081535-B2 Hydroxy-amino acids BIOCATALYTICS, INC. (US) 2006-07-25 — — US disclosed
US-20050256123-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. 2005-11-17 — — US disclosed
US-20050250782-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. 2005-11-10 — — US disclosed
US-20050192439-A1 Methods for producing hydroxy amino acids, esters, and derivatives thereof CODEXIS, INC. 2005-09-01 — — US disclosed
WO-2005051301-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2005-06-09 — — WO disclosed
US-20050100993-A1 Methods for producing hydroxy amino acids and derivatives thereof BIOCATALYTICS, INC. 2005-05-12 — — US disclosed
US-6833471-B2 Contacting beta-ketodiester having ketone and two esters with a ketoreductase under conditions permitting reduction of ketone to alcohol, regioselectively hydrolyzing one of ester groups to acid, converting acid or ester to amine BIOCATALYTICS, INC. 2004-12-21 — — US disclosed
US-20040053377-A1 Methods for producing hydroxy amino acids and derivatives thereof CODEXIS, INC. 2004-03-18 — — US disclosed
WO-1999055703-A1 2-ALKYL-3-(HETERO)ARYL-8-AZABICYCLO[3.2.1]ALKANES AS PESTICIDES ZENECA LIMITED (GB) 1999-11-04 — — 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 (7 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-20040053377-A1 Methods for producing hydroxy amino acids and derivatives thereof HMGCR, HSD17B12, BCKDK GAA 846/4885MGAM 381/4885SI 34/4885
US-10196436-B2 Inhibitors of the fibroblast growth factor receptor FGFR1, FGFR2, FGFR3 GAA 559/4885MGAM 3336/4885SI 3372/4885
US-20050100993-A1 Methods for producing hydroxy amino acids and derivatives thereof ALDH7A1, BCKDK, HSD17B12 GAA 1352/4885MGAM 338/4885SI 159/4885
US-20050192439-A1 Methods for producing hydroxy amino acids, esters, and derivatives thereof ALDH7A1, BCKDK, ADH5 GAA 855/4885MGAM 386/4885SI 189/4885
US-20050250782-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, MAPK9 GAA 2818/4885MGAM 3679/4885SI 2795/4885
US-20050256123-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, MAPK9 GAA 2856/4885MGAM 3699/4885SI 2879/4885
US-20240083861-A1 HSD17B13 INHIBITORS AND USES THEREOF HSD17B3, HSD17B11, HSD17B1 GAA 258/4885MGAM 621/4885SI 242/4885

“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.