SCHEMBL4989491

SCHEMBL4989491

CCC(Cc1ccc(F)cc1)CC(CN)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
PPARG P37231 9/20 0.41
EPHX2 P34913 4/20 0.41
CPA1 P15085 1/20 0.40
KMT2A Q03164 1/20 0.40
PPARA Q07869 6/20 0.39
PPARD Q03181 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38

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
SCHEMBL4990406 1.00 MME (0.41) MMEACEPPARGEPHX2CPA1
SCHEMBL4990670 0.88 PPARG (0.41) PPARGEPHX2PPARAPPARDSLC1A3
SCHEMBL4987450 0.87 SLC7A5 (0.49) MMEACEPPARGCPA1
SCHEMBL4990023 0.86 MMP3 (0.42) MMEKMT2ATDP1
SCHEMBL4994618 0.86 CPB2 (0.36) MMEPPARGEPHX2PPARAPPARD
SCHEMBL4986691 0.86 CPB2 (0.36) MMEPPARGEPHX2PPARAPPARD
SCHEMBL4987975 0.86 PPARG (0.52) MMEPPARGEPHX2KMT2APPARA
SCHEMBL4989980 0.85 PPARA (0.56) PPARGEPHX2PPARAPPARD
SCHEMBL4988034 0.85 MME (0.39) MMEACEPPARGEPHX2CPA1
SCHEMBL4986673 0.85 PPARA (0.56) PPARGEPHX2PPARAPPARD

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 MME 2393/4885ACE 2301/4885PPARG 1820/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A MME 2286/4885ACE 1863/4885PPARG 1405/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A MME 2084/4885ACE 2072/4885PPARG 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.