SCHEMBL4989201

SCHEMBL4989201

CCC(CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC(CN)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 11/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
PPARA Q07869 4/20 0.38
PPARG P37231 2/20 0.38
EPHX2 P34913 1/20 0.38
DHODH Q02127 1/20 0.36
PPARD Q03181 2/20 0.36
KMT2A Q03164 1/20 0.35
PAX8 Q06710 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 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
SCHEMBL4987432 0.93 TACR1 (0.41) TACR1AKR1C3AKR1C2PPARAPPARG
SCHEMBL4986177 0.88 TAAR1 (0.47) PPARAPPARGDHODHMMP2MMP3
SCHEMBL4983625 0.88 PPARA (0.48) PPARAPPARGEPHX2PPARDMMP2
SCHEMBL4989969 0.87 PPARA (0.42) TACR1AKR1C3AKR1C2PPARAPPARG
SCHEMBL4993040 0.85 AKR1C3 (0.35) AKR1C3AKR1C2PPARAPPARGEPHX2
SCHEMBL4987948 0.85 TACR1 (0.40) TACR1AKR1C3AKR1C2DHODH
SCHEMBL4984221 0.83 CPB2 (0.33) PPARGEPHX2MMP2MMP3
SCHEMBL4991387 0.82 PPARG (0.40) AKR1C3AKR1C2PPARAPPARGEPHX2
SCHEMBL4990630 0.82 PPARG (0.40) AKR1C3AKR1C2PPARAPPARGEPHX2
SCHEMBL4989788 0.82 ANPEP (0.44) AKR1C3AKR1C2PPARGMMP2

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 2212/4885AKR1C3 4710/4885AKR1C2 4233/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A TACR1 2406/4885AKR1C3 4658/4885AKR1C2 4077/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A TACR1 2096/4885AKR1C3 4657/4885AKR1C2 4126/4885

“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.