SCHEMBL4989698

SCHEMBL4989698

CC(CC(CN)C(=O)O)c1cccc(OC(F)(F)F)c1OC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.41
KCNK3 O14649 2/20 0.39
KCNK9 Q9NPC2 2/20 0.39
PPARA Q07869 3/20 0.34
EPHX2 P34913 3/20 0.34
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34
PPARD Q03181 2/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
LNPEP Q9UIQ6 1/20 0.32
RORC P51449 1/20 0.32
ALOX5 P09917 1/20 0.32
PLA2G10 O15496 1/20 0.32
PLA2G2A P14555 1/20 0.32
PLA2G5 P39877 1/20 0.32

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
SCHEMBL4987618 0.89 PPARG (0.37) PPARGKCNK3KCNK9PPARAEPHX2
SCHEMBL4991131 0.89 PPARG (0.45) PPARGKCNK3KCNK9PPARAEPHX2
SCHEMBL4995435 0.88 KCNK3 (0.38) PPARGKCNK3KCNK9PPARAEPHX2
SCHEMBL4993064 0.86 PPARG (0.41) PPARGKCNK3KCNK9PPARAEPHX2
SCHEMBL4984213 0.85 PPARG (0.43) PPARGKCNK3KCNK9PPARAEPHX2
SCHEMBL4990058 0.84 PPARG (0.40) PPARGPPARAEPHX2GRIK1GRIK2
SCHEMBL4994321 0.82 PPARG (0.36) PPARGPPARAEPHX2GRIK1GRIK2
SCHEMBL4989746 0.81 PPARG (0.44) PPARGKCNK3KCNK9PPARAEPHX2
SCHEMBL4989530 0.80 ALDH1A1 (0.40) GRIK1GRIK2
SCHEMBL4994190 0.80 PTGS1 (0.42) PPARGPTGS1PTGS2ALOX5

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-1667957-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN Warner-Lambert Company LLC (US) 2006-06-14 EP claimed
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US claimed
WO-2005030700-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 WO claimed
US-7388023-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2008-06-17 US disclosed
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN WANER-LAMBERT COMPANY LLC (US) 2007-06-07 US disclosed
US-7179934-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2007-02-20 US disclosed
EP-1667957-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN Warner-Lambert Company LLC (US) 2006-06-14 EP disclosed
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US disclosed
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-05-12 US disclosed
WO-2005030700-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 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-20050124668-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, SCN1A, OPRD1 PPARG 1820/4885KCNK3 751/4885KCNK9 660/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A PPARG 1405/4885KCNK3 787/4885KCNK9 672/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A PPARG 1828/4885KCNK3 895/4885KCNK9 780/4885

“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.