SCHEMBL15957705

SCHEMBL15957705

Cc1cc(C(F)(F)C(=O)O)cc(C(F)(F)C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.50
PGK2 P07205 1/20 0.50
CES2 O00748 1/20 0.41
TPMT P51580 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.37
MAPT P10636 1/20 0.37
RXRA P19793 3/20 0.37
RXRB P28702 3/20 0.37
GRB2 P62993 1/20 0.37
HCAR1 Q9BXC0 1/20 0.34
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NOTUM Q6P988 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
AGBL2 Q5U5Z8 1/20 0.33
RXRG P48443 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
SCHEMBL26087549 0.95 PGK1 (0.45) PGK1PGK2CES2TPMTTAS2R14
SCHEMBL15957720 0.92 PGK1 (0.44) PGK1PGK2CES2TPMTTAS2R14
SCHEMBL31560767 0.88 PGK1 (0.40) PGK1PGK2CES2TPMTTAS2R14
SCHEMBL29115490 0.81 CES2 (0.62) CES2MAPTRXRARXRBRXRG
SCHEMBL15957706 0.80 PGK1 (0.48) PGK1PGK2CES2TPMTTAS2R14
SCHEMBL8185345 0.79 PTPN5 (0.46) CES2SLC22A12
SCHEMBL22285405 0.78 HCAR2 (0.48) PGK1PGK2TAS2R14GRB2KDM4E
SCHEMBL5860009 0.77 GRB2 (0.49) CES2MAPTGRB2
SCHEMBL13199200 0.77 RXRA (0.44) CES2RXRARXRBRXRG
SCHEMBL13199336 0.74 PGK1 (0.48) PGK1PGK2CES2MAPTGRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809451-B2 Fluorinated dicarboxylic acid derivative and polymer obtained therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2014-08-19 US disclosed
US-20110301305-A1 Fluorinated Dicarboxylic Acid Derivative and Polymer Obtained Therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2011-12-08 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 (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-20110301305-A1 Fluorinated Dicarboxylic Acid Derivative and Polymer Obtained Therefrom MCCC2, AFF2, F13A1 PGK1 3551/4885PGK2 2718/4885CES2 2110/4885

“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.