Sugi Predict

Sugi Predict / Compounds / SCHEMBL4989945

SCHEMBL4989945

SCHEMBL4989945

CCC(Cc1cccc(Cl)c1)CC(CN)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 2/20 0.47
▸ PPARG P37231 2/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ GRIK1 P39086 1/20 0.40
▸ GRIK2 Q13002 1/20 0.40
▸ CTBP2 P56545 1/20 0.39
▸ CTSB P07858 4/20 0.39
▸ CTSV O60911 3/20 0.39
▸ CTSL P07711 3/20 0.39
▸ CTSS P25774 3/20 0.39
▸ CTSK P43235 3/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ NOS3 P29474 1/20 0.39
▸ NOS1 P29475 1/20 0.39
▸ NOS2 P35228 1/20 0.39
▸ HCAR2 Q8TDS4 1/20 0.39
▸ KIF11 P52732 1/20 0.38
▸ PLA2G10 O15496 1/20 0.38
▸ PLA2G2A P14555 1/20 0.38
▸ EPHX2 P34913 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
SCHEMBL4993636 0.89 PNMT (0.46) PNMTPPARGPPARACTBP2CTSB
SCHEMBL4986443 0.88 TAAR1 (0.43) PNMTGRIK1GRIK2TAAR1
SCHEMBL4985166 0.87 EPHX2 (0.38) PPARGPPARAEPHX2SLC1A3SLC1A2
SCHEMBL4982906 0.86 TAAR1 (0.40) PPARGPPARACTBP2CTSBTAAR1
SCHEMBL4992735 0.86 GRIA2 (0.46) TAAR1PLA2G10PLA2G2ASLC1A3SLC1A2
SCHEMBL4983562 0.85 GRIK1 (0.42) PNMTGRIK1GRIK2TAAR1
SCHEMBL4984641 0.85 SLC1A1 (0.51) PPARGPPARATAAR1HCAR2PLA2G10
SCHEMBL4991239 0.85 SLC1A1 (0.51) PPARGPPARATAAR1HCAR2PLA2G10
SCHEMBL4991032 0.84 PNMT (0.53) PNMTPPARGPPARAGRIK1GRIK2
SCHEMBL4987975 0.84 PPARG (0.52) PPARGPPARAEPHX2

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 PNMT 2239/4885PPARG 1820/4885PPARA 1454/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A PNMT 1531/4885PPARG 1405/4885PPARA 1126/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A PNMT 2122/4885PPARG 1828/4885PPARA 1324/4885

“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.