SCHEMBL4987494

SCHEMBL4987494

CC(Cc1cccc(OC(F)(F)F)c1)CC(CN)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 3/20 0.45
PLA2G2A P14555 3/20 0.45
PLA2G5 P39877 3/20 0.45
MAPK14 Q16539 1/20 0.45
CYP2C9 P11712 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.43
EPHX1 P07099 1/20 0.42
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
GPR139 Q6DWJ6 1/20 0.41
CETP P11597 2/20 0.41
CTSD P07339 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
CNR1 P21554 1/20 0.40
EPHX2 P34913 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40

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
SCHEMBL4986652 0.89 CHRM2 (0.44) PLA2G10PLA2G2APLA2G5MAPK14CYP2C9
SCHEMBL4991119 0.88 PPARG (0.41) PLA2G10PLA2G2APLA2G5CYP2C9EPHX1
SCHEMBL4990042 0.87 PPARG (0.42) PLA2G10PLA2G2APLA2G5MAPK14CYP2C9
SCHEMBL4984013 0.86 PLA2G10 (0.44) PLA2G10PLA2G2APLA2G5MAPK14CYP2C9
SCHEMBL4983403 0.85 TAAR1 (0.55) CYSLTR2CYSLTR1PPARA
SCHEMBL4994176 0.85 PPARA (0.54) EPHX1EPHX2PPARGPPARA
SCHEMBL4993875 0.83 CYSLTR2 (0.47) CYP2C9CYSLTR2CYSLTR1
SCHEMBL4987503 0.82 PPARA (0.44) EPHX2PPARGPPARA
SCHEMBL4992441 0.82 HTR2A (0.56) CYP2C9EPHX1CHRM3PPARGPPARA
SCHEMBL4990782 0.81 GPR139 (0.47) PLA2G10PLA2G2APLA2G5MAPK14TRPM8

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 PLA2G10 3478/4885PLA2G2A 1805/4885PLA2G5 2827/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A PLA2G10 3115/4885PLA2G2A 1671/4885PLA2G5 2482/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A PLA2G10 3245/4885PLA2G2A 1513/4885PLA2G5 2491/4885

“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.