SCHEMBL7213719

SCHEMBL7213719

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALOX15 P16050 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SOAT1 P35610 1/20 0.39
MMP8 P22894 1/20 0.36
PKM P14618 1/20 0.36
TRPA1 O75762 1/20 0.36
CPB2 Q96IY4 1/20 0.35
CYP4F2 P78329 2/20 0.34
CYP4A11 Q02928 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PIN1 Q13526 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP1A2 P05177 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
SCHEMBL6441211 0.89 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL7522520 0.87 ALOX15 (0.43) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL10684759 0.82 MGAM (0.41) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL7207332 0.81 CA1 (0.42) ALDH1A1LMNAMGAMGAASI
SCHEMBL5526187 0.80 CYP4F2 (0.52) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL5527027 0.80 CYP4F2 (0.52) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL5523761 0.80 CYP4F2 (0.52) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL5517737 0.80 CYP4F2 (0.52) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL7668553 0.80 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL334770 0.80 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10ALOX15MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115666539-A Treatment of psoriasis and skin inflammatory diseases 兹杜斯生命科学有限公司 2023-01-31 CN claimed
WO-2023196429-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-12 WO disclosed
CN-116601158-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-08-15 CN disclosed
US-11679090-B2 Modulators of Sestrin-GATOR2 interaction and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2023-06-20 US disclosed
CN-115666539-A Treatment of psoriasis and skin inflammatory diseases 兹杜斯生命科学有限公司 2023-01-31 CN disclosed
WO-2022076622-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
WO-2017070518-A1 MODULATORS OF SESTRIN-GATOR2 INTERACTION AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2017-04-27 WO disclosed
US-20170114080-A1 MODULATORS OF SESTRIN-GATOR2 INTERACTION AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2017-04-27 US disclosed
US-20170114080-A1 MODULATORS OF SESTRIN-GATOR2 INTERACTION AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2017-04-27 US disclosed
US-6613934-B1 Enzymatic partial hydrolysis of a diester of malonic acid DEGUSSA AG (DE) 2003-09-02 US disclosed
EP-0812819-B1 Enantiomer-enriched tertiary hydrocarbonrest-substituted malonic acid ester and the preparation DEGUSSA (DE) 2001-11-28 EP disclosed
US-5831119-A Process for the preparation of aminoacetic acids with a tertiary hydrocarbon radical in the α-position, or their nitriles HUELS AKTIENGESELLSCHAFT (DE) 1998-11-03 US disclosed
EP-0812819-A2 Enantiomer-enriched tertiary hydrocarbonrest-substituted malonic acid ester and the preparation HÜLS AKTIENGESELLSCHAFT (DE) 1997-12-17 EP disclosed
EP-0294228-B1 NOVEL HETEROCYCLIC PESTICIDAL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-08-26 EP disclosed
EP-0294228-A2 Novel heterocyclic pesticidal compounds THE WELLCOME FOUNDATION LIMITED (GB) 1988-12-07 EP disclosed
US-4334091-A Process for preparing halovinyl cyclopropane carboxylic acid salts AIR PRODUCTS AND CHEMICALS, INC. (US) 1982-06-08 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 (2 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-20170114080-A1 MODULATORS OF SESTRIN-GATOR2 INTERACTION AND USES THEREOF GATD3, GABRR2, GABRR3 ALDH1A1 3585/4885LMNA 4731/4885HSD17B10 2805/4885
US-11679090-B2 Modulators of Sestrin-GATOR2 interaction and uses thereof GATD3, GABRR2, GABRR3 ALDH1A1 3585/4885LMNA 4731/4885HSD17B10 2805/4885

“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.