SCHEMBL4986141

SCHEMBL4986141

CCC(CCCc1cccc(C(F)(F)F)c1C(F)(F)F)CC(CN)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.40
PPARG P37231 6/20 0.40
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
POLQ O75417 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
GRIK1 P39086 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 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
SCHEMBL4990857 0.94 EPHX2 (0.41) EPHX2PPARGAKR1C3AKR1C2POLQ
SCHEMBL4983823 0.90 PPARG (0.35) EPHX2PPARGAKR1C3AKR1C2PPARD
SCHEMBL4989583 0.90 EPHX2 (0.46) EPHX2PPARGPOLQSLC6A2SLC6A4
SCHEMBL4989252 0.87 EPHX2 (0.37) EPHX2PPARGAKR1C3AKR1C2POLQ
SCHEMBL4989934 0.87 EPHX2 (0.44) EPHX2PPARGAKR1C3AKR1C2POLQ
SCHEMBL4986488 0.87 EPHX2 (0.38) EPHX2PPARGAKR1C3AKR1C2POLB
SCHEMBL4987434 0.85 AKR1C3 (0.33) EPHX2PPARGAKR1C3AKR1C2PPARA
SCHEMBL4981674 0.84 PPARA (0.36) EPHX2PPARGAKR1C3AKR1C2POLQ
SCHEMBL4992835 0.84 PPARG (0.36) EPHX2PPARGAKR1C3AKR1C2PPARD
SCHEMBL4986428 0.83 EPHX2 (0.47) EPHX2PPARGPOLQSLC6A2SLC6A4

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 EPHX2 3970/4885PPARG 1820/4885AKR1C3 4710/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A EPHX2 3738/4885PPARG 1405/4885AKR1C3 4658/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A EPHX2 3738/4885PPARG 1828/4885AKR1C3 4657/4885

“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.