SCHEMBL4990782

SCHEMBL4990782

CC(CC(CN)C(=O)O)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.47
PLA2G10 O15496 3/20 0.44
PLA2G2A P14555 3/20 0.44
PLA2G5 P39877 3/20 0.44
FFAR1 O14842 3/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
HDAC8 Q9BY41 1/20 0.42
MAPK14 Q16539 1/20 0.41
PTGS1 P23219 1/20 0.40
KAT6A Q92794 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
SCHEMBL4989941 0.88 GPR139 (0.46) GPR139PLA2G10PLA2G2APLA2G5FFAR1
SCHEMBL4983835 0.87 PPARA (0.40) GPR139PLA2G10PLA2G2APLA2G5
SCHEMBL4989678 0.86 GPR139 (0.43) GPR139PLA2G10PLA2G2APLA2G5FFAR1
SCHEMBL4990811 0.85 L3MBTL1 (0.50) GPR139TRPM8PTGS1
SCHEMBL4987414 0.85 EPHX2 (0.47)
SCHEMBL4986660 0.82 PTGS2 (0.47) FFAR1PTGS1KAT6A
SCHEMBL4987298 0.81 PPARG (0.42)
SCHEMBL4984271 0.81 PNMT (0.54) GPR139
SCHEMBL4987494 0.81 PLA2G10 (0.45) GPR139PLA2G10PLA2G2APLA2G5TRPM8
SCHEMBL4989965 0.80 PPARA (0.41) GPR139PLA2G10PLA2G2APLA2G5MAPK14

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 GPR139 579/4885PLA2G10 3478/4885PLA2G2A 1805/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A GPR139 633/4885PLA2G10 3115/4885PLA2G2A 1671/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A GPR139 589/4885PLA2G10 3245/4885PLA2G2A 1513/4885

“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.