SCHEMBL4987006

SCHEMBL4987006

CCC(Cc1c(C(F)(F)F)ccc(C(F)(F)F)c1C(F)(F)F)CC(CN)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.36
EPHX2 P34913 8/20 0.36
PPARA Q07869 5/20 0.35
PPARD Q03181 4/20 0.34
AKR1C3 P42330 7/20 0.34
AKR1C2 P52895 7/20 0.34
AKR1B10 O60218 2/20 0.34
AKR1C4 P17516 2/20 0.34
AKR1C1 Q04828 2/20 0.34
CPB2 Q96IY4 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
SCHEMBL4994856 0.89 PPARG (0.35) PPARGEPHX2PPARAPPARDAKR1C3
SCHEMBL4989779 0.88 PPARG (0.33) PPARGEPHX2PPARAPPARDAKR1C3
SCHEMBL4990140 0.88 PPARG (0.43) PPARGEPHX2PPARAAKR1C3AKR1C2
SCHEMBL4990607 0.87 PPARG (0.39) PPARGEPHX2PPARAPPARDAKR1C3
SCHEMBL4994534 0.87 PPARG (0.35) PPARGEPHX2PPARAPPARDAKR1C3
SCHEMBL4987434 0.86 AKR1C3 (0.33) PPARGEPHX2PPARAAKR1C3AKR1C2
SCHEMBL4989929 0.85 PPARG (0.34) PPARGEPHX2PPARAPPARDAKR1C3
SCHEMBL4987698 0.84 EPHX2 (0.34) PPARGEPHX2PPARACPB2
SCHEMBL4989934 0.83 EPHX2 (0.44) PPARGEPHX2PPARAAKR1C3AKR1C2
SCHEMBL4984653 0.81 PPARG (0.38) PPARGEPHX2PPARAPPARDAKR1C3

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 1820/4885EPHX2 3970/4885PPARA 1454/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A PPARG 1405/4885EPHX2 3738/4885PPARA 1126/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A PPARG 1828/4885EPHX2 3738/4885PPARA 1324/4885

“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.