Sugi Predict

Sugi Predict / Compounds / SCHEMBL4991102

SCHEMBL4991102

SCHEMBL4991102

CCC(CC(CN)C(=O)O)c1ccccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.45
▸ GABRA1 P14867 1/20 0.37
▸ GABRB2 P47870 1/20 0.37
▸ GRIK1 P39086 1/20 0.36
▸ GRIK2 Q13002 1/20 0.36
▸ SLC1A3 P43003 2/20 0.36
▸ SLC1A2 P43004 2/20 0.36
▸ SLC1A1 P43005 2/20 0.36
▸ GRM2 Q14416 1/20 0.36
▸ GRM3 Q14832 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ GABBR2 O75899 1/20 0.35
▸ GABBR1 Q9UBS5 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ PPARG P37231 2/20 0.35

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
SCHEMBL4986372 0.89 BCHE (0.41) TSHRGRIK1GRIK2SLC1A3SLC1A2
SCHEMBL4990884 0.85 PPARG (0.39) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL4983956 0.84 GAA (0.38) TSHRGRIK1GRIK2SLC1A3SLC1A2
SCHEMBL4984391 0.84 NISCH (0.42) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL4993490 0.84 SLC1A1 (0.35) TSHRGRIK1GRIK2SLC1A3SLC1A2
SCHEMBL4986236 0.83 POLB (0.50) TSHRGRIK1GRIK2POLBALDH1A1
SCHEMBL4987377 0.83 MEN1 (0.39) TSHRCYP1A2ALDH1A1HSD17B10MEN1
SCHEMBL4983418 0.83 CA12 (0.37) TSHRSLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL4990778 0.82 TSHR (0.51) TSHRGABRA1GABRB2GRIK1GRIK2
SCHEMBL27644150 0.82 TSHR (0.47) TSHRGRIK1GRIK2SLC1A3SLC1A2

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 TSHR 2889/4885GABRA1 96/4885GABRB2 46/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A TSHR 3360/4885GABRA1 90/4885GABRB2 27/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A TSHR 3138/4885GABRA1 87/4885GABRB2 38/4885

“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.