SCHEMBL4987432

SCHEMBL4987432

CCC(CCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC(CN)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.41
PPARA Q07869 4/20 0.39
PPARD Q03181 2/20 0.39
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
PPARG P37231 2/20 0.37
EPHX2 P34913 1/20 0.37
GRIK1 P39086 1/20 0.35
DHODH Q02127 1/20 0.35
KMT2A Q03164 1/20 0.34
PAX8 Q06710 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34

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
SCHEMBL4989201 0.93 TACR1 (0.39) TACR1PPARAPPARDAKR1C3AKR1C2
SCHEMBL4992250 0.89 TAAR1 (0.45) PPARAPPARGGRIK1MMP2MMP3
SCHEMBL4990052 0.88 PPARA (0.48) PPARAPPARDPPARGEPHX2GRIK1
SCHEMBL4987481 0.86 AKR1C3 (0.34) PPARAPPARDAKR1C3AKR1C2PPARG
SCHEMBL4991357 0.85 TACR1 (0.42) TACR1PPARAPPARDAKR1C3AKR1C2
SCHEMBL4989969 0.85 PPARA (0.42) TACR1PPARAPPARDAKR1C3AKR1C2
SCHEMBL4987558 0.84 GRIK1 (0.37) PPARAPPARDGRIK1MMP2MMP3
SCHEMBL4984635 0.83 PPARA (0.37) PPARAPPARDAKR1C3AKR1C2PPARG
SCHEMBL4993285 0.83 PPARG (0.39) PPARAPPARDPPARGEPHX2GRIK1
SCHEMBL4986430 0.83 PTGS2 (0.41) GRIK1

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 TACR1 2212/4885PPARA 1454/4885PPARD 1357/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A TACR1 2406/4885PPARA 1126/4885PPARD 1447/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A TACR1 2096/4885PPARA 1324/4885PPARD 1355/4885

“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.