SCHEMBL4994757

SCHEMBL4994757

CCOc1cc(CCCC(C)CC(CN)C(=O)O)cc(OCC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.41
ALOX5 P09917 3/20 0.41
PPARG P37231 3/20 0.41
PTGS2 P35354 2/20 0.40
CNR1 P21554 6/20 0.36
CNR2 P34972 6/20 0.36
GRIK1 P39086 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
F10 P00742 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
PRSS3 P35030 1/20 0.34
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
DUSP3 P51452 1/20 0.33
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32

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
SCHEMBL4989960 0.93 PTGS2 (0.41) PTGESALOX5PPARGPTGS2CNR1
SCHEMBL4983576 0.89 PPARA (0.46) PTGESALOX5PPARGPTGS2GRIK1
SCHEMBL4991339 0.88 ACACB (0.43) PPARGGRIK1
SCHEMBL4990118 0.88 PTGS2 (0.40) PTGESALOX5PPARGPTGS2CNR1
SCHEMBL4988007 0.87 PPARG (0.41) PTGESALOX5PPARGPTGS2CNR1
SCHEMBL4987368 0.86 PTGS2 (0.36) PTGESALOX5PPARGPTGS2AKR1C3
SCHEMBL4994208 0.85 PTGS2 (0.43) PTGESALOX5PPARGPTGS2AKR1C3
SCHEMBL4985803 0.84 TSHR (0.35) PTGESALOX5PPARGPTGS2AKR1C3
SCHEMBL4991226 0.83 PPARG (0.36) PTGESALOX5PPARGGRIK1
SCHEMBL4990098 0.82 PPARG (0.45) PTGESALOX5PPARG

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US 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 PTGES 1711/4885ALOX5 4584/4885PPARG 1820/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A PTGES 1056/4885ALOX5 4087/4885PPARG 1405/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A PTGES 1514/4885ALOX5 4324/4885PPARG 1828/4885

“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.