SCHEMBL3908512

SCHEMBL3908512

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 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
PIN1 Q13526 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 1/20 0.36
TRPA1 O75762 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
PPARA Q07869 2/20 0.35
MMP8 P22894 1/20 0.34
CYP2D6 P10635 1/20 0.33
THRB P10828 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
SCHEMBL6028711 1.00 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL9770041 0.98 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL2148474 0.87 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL856417 0.86 ALDH1A1 (0.34) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL7432060 0.85 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL6208557 0.85 THRB (0.40) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL11805901 0.84 ALDH1A1 (0.35) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL7592821 0.82 SOAT1 (0.36) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL8327215 0.81 ALDH1A1 (0.45) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL4755149 0.81 ALDH1A1 (0.42) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2018368-B1 MALONAMIDE DERIVATIVES AS GAMMA SECRETASE INHIBITORS HOFFMANN LA ROCHE (CH) 2012-12-05 EP disclosed
EP-2018368-A1 MALONAMIDE DERIVATIVES AS GAMMA SECRETASE INHIBITORS F. Hoffmann-Roche AG (CH) 2009-01-28 EP disclosed
US-7425551-B2 Malonamide derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-16 US disclosed
WO-2007110335-A1 MALONAMIDE DERIVATIVES AS GAMMA SECRETASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-10-04 WO disclosed
US-20070225273-A1 Malonamide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-09-27 US disclosed
EP-1706396-A1 N-(4-CARBAMIMIDOYL-BENZYL)-2-ALKOXY-2-HETEROCYCLYL ACETAMIDES AS INHIBITORS OF THE FORMATION OF COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA F.HOFFMANN-LA ROCHE AG (CH) 2006-10-04 EP disclosed
US-7056932-B2 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMAN-LA ROCHE INC. (US) 2006-06-06 US disclosed
WO-2006011647-A1 POLYMERIZABLE COMPOSITION, OPTICALLY ANISOTROPIC LAYER AND METHOD FOR MANUFACTURING THEREOF, OPTICAL COMPENSATORY ELEMENT, LIQUID CRYSTAL DISPLAY AND LIQUID CRYSTAL PROJECTOR FUJIFILM CORPORATION (JP) 2006-02-02 WO disclosed
WO-2005058868-A1 N-(4-CARBAMIMIDOYL-BENZYL) -2-ALKOXY-2-HETEROCYCLYL ACETAMIDES AS INHIBITORS OF THE FORMATION OF COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO disclosed
US-20050137168-A1 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMANN-LA ROCHE INC. 2005-06-23 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-20050137168-A1 Heterocyclyl substituted 1-alkoxy acetic acid amides F12, TFPI, F11 ALDH1A1 89/4885LMNA 2335/4885HSD17B10 936/4885
US-20070225273-A1 Malonamide derivatives ACE, APP, NAAA ALDH1A1 92/4885LMNA 2004/4885HSD17B10 252/4885

“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.