SCHEMBL4990630

SCHEMBL4990630

CCC(CCc1ccc(C(F)(F)F)c(C(F)(F)F)c1)CC(CN)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.40
EPHX2 P34913 8/20 0.40
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
PPARA Q07869 8/20 0.36
PPARD Q03181 6/20 0.36
DAO P14920 1/20 0.35
AKR1C3 P42330 3/20 0.35
AKR1C2 P52895 3/20 0.35
AKR1B10 O60218 1/20 0.35
AKR1C4 P17516 1/20 0.35
AKR1C1 Q04828 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
SCHEMBL4984635 0.93 PPARA (0.37) PPARGEPHX2RXRARXRBRXRG
SCHEMBL4986590 0.88 PPARG (0.42) PPARGEPHX2RXRARXRBRXRG
SCHEMBL4984337 0.86 RXRA (0.39) PPARGEPHX2RXRARXRBRXRG
SCHEMBL4983625 0.84 PPARA (0.48) PPARGEPHX2PPARAPPARD
SCHEMBL4986177 0.83 TAAR1 (0.47) PPARGPPARA
SCHEMBL4986428 0.82 EPHX2 (0.47) PPARGEPHX2PPARA
SCHEMBL4989310 0.82 DPP4 (0.37) PPARGEPHX2
SCHEMBL4989201 0.82 TACR1 (0.39) PPARGEPHX2PPARAPPARDAKR1C3
SCHEMBL4986250 0.82 PPARG (0.39) PPARGEPHX2PPARAPPARD
SCHEMBL4989779 0.81 PPARG (0.33) PPARGEPHX2PPARAPPARDAKR1C3

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 3970/4885RXRA 1436/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A PPARG 1405/4885EPHX2 3738/4885RXRA 1105/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A PPARG 1828/4885EPHX2 3738/4885RXRA 1308/4885

“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.