SCHEMBL4991472

SCHEMBL4991472

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.47
F10 P00742 6/20 0.42
F7 P08709 6/20 0.42
F3 P13726 6/20 0.42
PRSS1 P07477 5/20 0.42
PRSS2 P07478 5/20 0.42
PRSS3 P35030 5/20 0.42
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
F2 P00734 4/20 0.37
FFAR1 O14842 1/20 0.34
PARP10 Q53GL7 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL4986341 0.87 AKR1C3 (0.43) PTGS2AKR1C3AKR1C2FFAR1RXRA
SCHEMBL4989998 0.87 PTGS2 (0.46) PTGS2AKR1C3AKR1C2FFAR1L3MBTL1
SCHEMBL4988083 0.86 AKR1C3 (0.45) PTGS2AKR1C3AKR1C2FFAR1PARP10
SCHEMBL4984353 0.84 PTGS2 (0.48) PTGS2F10F7F3PRSS1
SCHEMBL4986175 0.84 PTGS2 (0.39) PTGS2F10F7F3PRSS1
SCHEMBL27643882 0.83 PTGS2 (0.46) PTGS2F10F7F3PRSS1
SCHEMBL4989823 0.83 PPARG (0.41) PTGS2AKR1C3AKR1C2PPARGPPARD
SCHEMBL4986555 0.82 PTGS2 (0.46) PTGS2F10F7F3PRSS1
SCHEMBL4991370 0.81 TNF (0.42) PTGS2F10F7F3PRSS1
SCHEMBL4990974 0.81 AKR1C3 (0.43) PTGS2AKR1C3AKR1C2FFAR1RXRA

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 6 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
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

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 PTGS2 1324/4885F10 3141/4885F7 3921/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A PTGS2 948/4885F10 3009/4885F7 3901/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A PTGS2 1173/4885F10 3107/4885F7 3859/4885

“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.