SCHEMBL4989448

SCHEMBL4989448

CCC(CC(CN)C(=O)O)c1c(C(F)(F)F)cccc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.42
PPARG P37231 4/20 0.42
AKR1C3 P42330 11/20 0.41
AKR1C2 P52895 11/20 0.41
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
AKR1B10 O60218 2/20 0.36
AKR1C4 P17516 2/20 0.36
AKR1C1 Q04828 2/20 0.36
CTSS P25774 3/20 0.36
CTSK P43235 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL4992144 0.87 AKR1C3 (0.37) EPHX2PPARGAKR1C3AKR1C2AKR1B10
SCHEMBL4989456 0.85 PPARG (0.43) EPHX2PPARGAKR1C3AKR1C2POLB
SCHEMBL4986187 0.85 AKR1C3 (0.40) EPHX2PPARGAKR1C3AKR1C2AKR1B10
SCHEMBL4981498 0.85 EPHX2 (0.39) EPHX2PPARGAKR1C3AKR1C2POLB
SCHEMBL4986459 0.83 PPARG (0.40) EPHX2PPARGAKR1C3AKR1C2AKR1C4
SCHEMBL27644194 0.83 AKR1C3 (0.40) AKR1C3AKR1C2POLBMAPK1CTSS
SCHEMBL4993489 0.82 AKR1C3 (0.36) AKR1C3AKR1C2AKR1C4AKR1C1
SCHEMBL4991651 0.81 PPARG (0.37) EPHX2PPARGAKR1C3AKR1C2AKR1C4
SCHEMBL4991258 0.81 PPARG (0.44) EPHX2PPARGAKR1C3AKR1C2PPARA
SCHEMBL4993490 0.80 SLC1A1 (0.35) PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US 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
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

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.