SCHEMBL2537922

SCHEMBL2537922

CCOC(=O)C#CC(CF)(OC)OC

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALOX15 P16050 1/20 0.30
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
SOAT1 P35610 1/20 0.30
MAPT P10636 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
SCHEMBL126709 0.75 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL3144063 0.73 SOAT1 (0.39) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL16048128 0.73 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL1513788 0.72
SCHEMBL7614203 0.72 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL16049142 0.72 ALDH1A1 (0.36) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL1778910 0.71 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL18446 0.71 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL23234042 0.68
SCHEMBL2945943 0.68 GAA (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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1851214-B1 ISOXAZOLINE DERIVATIVE AND NOVEL PROCESS FOR ITS PREPARATION LG LIFE SCIENCES LTD (KR) 2012-09-05 EP disclosed
US-8044080-B2 Isoxazoline derivative and novel process for its preparation LG LIFE SCIENCES LTD. (KR) 2011-10-25 US disclosed
US-20100160370-A1 METHOD OF TREATMENT AND PHARMACEUTICAL COMPOSITIONS GILEAD SCIENCES, INC. (US) 2010-06-24 US disclosed
WO-2010005766-A1 USE OF PHARMACEUTICAL COMPOSITIONS COMPRISING A CASPASE INHIBITOR FOR TREATING INTERSTITIAL LUNG DISEASES GILEAD SCIENCES, INC. (US) 2010-01-14 WO disclosed
US-20100008867-A1 METHOD OF TREATMENT AND PHARMACEUTICAL COMPOSITIONS GILEAD SCIENCES, INC. (US) 2010-01-14 US disclosed
WO-2010005765-A1 METHOD OF TREATMENT AND PHARMACEUTICAL COMPOSITIONS GILEAD SCIENCES, INC. (US) 2010-01-14 WO disclosed
US-20080262032-A1 Isoxazoline Derivative and Novel Process for Its Preparation LG CHEM, LTD. (KR) 2008-10-23 US disclosed
EP-1851214-A1 ISOXAZOLINE DERIVATIVE AND NOVEL PROCESS FOR ITS PREPARATION LG Life Sciences Ltd. (KR) 2007-11-07 EP disclosed
WO-2006090997-A1 ISOXAZOLINE DERIVATIVE AND NOVEL PROCESS FOR ITS PREPARATION LG LIFE SCIENCES LTD. (KR) 2006-08-31 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 (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-20080262032-A1 Isoxazoline Derivative and Novel Process for Its Preparation CASP7, CASP1, CASP14 ALDH1A1 1201/4885LMNA 609/4885HSD17B10 236/4885
US-20100160370-A1 METHOD OF TREATMENT AND PHARMACEUTICAL COMPOSITIONS CASP3, CASP5, CASP2 ALDH1A1 2415/4885LMNA 308/4885HSD17B10 1151/4885
US-20100008867-A1 METHOD OF TREATMENT AND PHARMACEUTICAL COMPOSITIONS CASP3, CASP5, CASP2 ALDH1A1 2415/4885LMNA 308/4885HSD17B10 1151/4885

“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.