SCHEMBL5076700

SCHEMBL5076700

COC(=O)CC(=O)CC(F)F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
TSHR P16473 4/20 0.42
HSD17B10 Q99714 2/20 0.39
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 2/20 0.32
TET2 Q6N021 1/20 0.32
MEN1 O00255 1/20 0.32
CA12 O43570 1/20 0.31
CA14 Q9ULX7 1/20 0.31
RECQL P46063 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
HTT P42858 2/20 0.31

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
SCHEMBL1736699 0.82
SCHEMBL5074741 0.80 GAA (0.56) MGAMGAASIMGAM2TSHR
SCHEMBL529207 0.78 MGAM (0.46) MGAMGAASIMGAM2TSHR
SCHEMBL11607945 0.77 MGAM (0.41) MGAMGAASIMGAM2TSHR
SCHEMBL30477388 0.77 TSHR (0.44) MGAMGAASIMGAM2TSHR
SCHEMBL23391807 0.76 MGAM (0.44) MGAMGAASIMGAM2TSHR
SCHEMBL10211016 0.76 GAA (0.44) MGAMGAASIMGAM2TSHR
SCHEMBL27976 0.76 MGAM (0.61) MGAMGAASIMGAM2TSHR
SCHEMBL11911037 0.74 MGAM (0.42) MGAMGAASIMGAM2TSHR
SCHEMBL12562841 0.74 TSHR (0.43) MGAMGAASIMGAM2TSHR

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-3083619-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS Asana BioSciences, LLC (US) 2016-10-26 EP disclosed
WO-2015095128-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS ASANA BIOSCIENCES, LLC (US) 2015-06-25 WO disclosed
EP-1765764-B1 PROCESS FOR THE PREPARATION OF 4,4-DIFLUORO-3-OXOBUTANOIC ACID ESTERS SYNGENTA PARTICIPATIONS AG (CH) 2014-05-21 EP disclosed
CN-100532345-C Process for the preparation of 4,4-difluoro-3-oxobutanoic acid esters SYNGENTA PARTICIPATIONS AG (CH) 2009-08-26 CN disclosed
US-7355065-B2 Process for the preparation of 4,4-difluoro-3-oxobutanoic acid esters SYNGENTA CROP PROTECTION, INC. (US) 2008-04-08 US disclosed
US-20080004465-A1 Process for the Preparation of 4,4-Difluoro-3-Oxobutanoic Acid Esters SYNGENTA CROP PROTECTION, INC. 2008-01-03 US disclosed
CN-1984865-A Process for the preparation of 4,4-difluoro-3-oxobutanoic acid esters SYNGENTA PARTICIPATIONS AG (CH) 2007-06-20 CN disclosed
EP-1765764-A1 PROCESS FOR THE PREPARATION OF 4,4-DIFLUORO-3-OXOBUTANOIC ACID ESTERS Syngeta Participations AG (CH) 2007-03-28 EP disclosed
WO-2006005612-A1 PROCESS FOR THE PREPARATION OF 4,4-DIFLUORO-3-OXOBUTANOIC ACID ESTERS SYNGENTA PARTICIPATIONS AG (CH) 2006-01-19 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 (1 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-20080004465-A1 Process for the Preparation of 4,4-Difluoro-3-Oxobutanoic Acid Esters FFAR4, OGDH, AKR1C4 MGAM 3090/4885GAA 2819/4885SI 1849/4885

“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.