SCHEMBL4981807

SCHEMBL4981807

CC(CCc1ccc(C(F)(F)F)cc1)CC(CN)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.44
PPARG P37231 3/20 0.44
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
EPHX2 P34913 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
PPARD Q03181 4/20 0.42
GRIK1 P39086 1/20 0.41
GRIK2 Q13002 1/20 0.41
KCNH2 Q12809 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
MAOB P27338 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL3998170 0.92 PPARA (0.45) PPARAPPARGMMP2MMP3EPHX2
SCHEMBL3997948 0.92 PPARA (0.45) PPARAPPARGMMP2MMP3EPHX2
SCHEMBL4001284 0.92 PPARA (0.45) PPARAPPARGMMP2MMP3EPHX2
SCHEMBL4992653 0.90 PPARA (0.44) PPARAPPARGMMP2MMP3EPHX2
SCHEMBL4987948 0.87 TACR1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4988215 0.86 PPARA (0.52) PPARAPPARGEPHX2PPARDGRIK1
SCHEMBL4993102 0.85 TAAR1 (0.49) PPARAPPARGTAAR1MEN1KMT2A
SCHEMBL4983969 0.85 DPP4 (0.42) MMP2MMP3TAAR1GRIK1MEN1
SCHEMBL4983789 0.85 ANPEP (0.45) TAAR1GRIK1MEN1KMT2A
SCHEMBL4983625 0.85 PPARA (0.48) PPARAPPARGMMP2MMP3EPHX2

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 PPARA 1454/4885PPARG 1820/4885MMP2 4647/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A PPARA 1126/4885PPARG 1405/4885MMP2 4713/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A PPARA 1324/4885PPARG 1828/4885MMP2 4616/4885

“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.