SCHEMBL4986602

SCHEMBL4986602

CC(CC(CN)C(=O)O)C(C)c1cccc(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.35
EPHX2 P34913 4/20 0.35
AKR1C3 P42330 5/20 0.34
AKR1C2 P52895 5/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CNR2 P34972 1/20 0.34
P2RX7 Q99572 1/20 0.33
POLQ O75417 1/20 0.32
AKR1C4 P17516 1/20 0.32
AKR1C1 Q04828 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.32
ACP3 P15309 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
SCHEMBL4993683 0.89 EPHX2 (0.31) PPARGEPHX2AKR1C3AKR1C2AKR1C4
SCHEMBL4988063 0.89 CNR2 (0.41) PPARGEPHX2AKR1C3AKR1C2HPGD
SCHEMBL4981449 0.88 PPARG (0.38) PPARGEPHX2AKR1C3AKR1C2HPGD
SCHEMBL27644424 0.85 SLC1A3 (0.36) AKR1C3AKR1C2CNR2P2RX7
SCHEMBL4991651 0.85 PPARG (0.37) PPARGEPHX2AKR1C3AKR1C2POLQ
SCHEMBL4981498 0.83 EPHX2 (0.39) PPARGEPHX2AKR1C3AKR1C2CNR2
SCHEMBL4983770 0.82 AKR1C3 (0.32) PPARGEPHX2AKR1C3AKR1C2
SCHEMBL4993708 0.82 PSEN1 (0.34) PPARGEPHX2AKR1C3AKR1C2POLQ
SCHEMBL4983189 0.78 CNR2 (0.43) PPARGEPHX2AKR1C3AKR1C2HPGD
SCHEMBL4989836 0.78 POLQ (0.39) PPARGEPHX2AKR1C3AKR1C2HPGD

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