Sugi Predict

Sugi Predict / Compounds / SCHEMBL4990987

SCHEMBL4990987

SCHEMBL4990987

COc1ccccc1C(C)C(C)CC(CN)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.44
▸ POLB P06746 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ GRIK1 P39086 1/20 0.43
▸ GRIK2 Q13002 1/20 0.43
▸ GRIK3 Q13003 1/20 0.43
▸ PTGS1 P23219 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ AKR1C3 P42330 2/20 0.39
▸ AKR1C2 P52895 2/20 0.39
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ ACHE P22303 2/20 0.38
▸ CTSD P07339 1/20 0.38
▸ IDO1 P14902 1/20 0.37
▸ TDO2 P48775 1/20 0.37

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
SCHEMBL4989075 0.90 ALDH1A1 (0.41) KMT2APOLBHTTNPSR1L3MBTL1
SCHEMBL4992905 0.89 L3MBTL1 (0.43) KMT2APOLBHTTNPSR1L3MBTL1
SCHEMBL4994844 0.86 KMT2A (0.41) KMT2APOLBHTTNPSR1L3MBTL1
SCHEMBL4990041 0.86 PPARG (0.41) L3MBTL1GRIK1GRIK2SMN1; SMN2HPGD
SCHEMBL4990418 0.86 KMT2A (0.46) KMT2APOLBHTTNPSR1L3MBTL1
SCHEMBL4986166 0.84 ADRA1A (0.55) KMT2AHTTCA1CA2ACHE
SCHEMBL4989932 0.84 ADRA1A (0.45) PTGS1PTGS2AKR1C3AKR1C2LMNA
SCHEMBL4989209 0.83 MME (0.38) POLBGRIK1GRIK2
SCHEMBL4986423 0.83 TSHR (0.41) POLBGRIK1GRIK2PTGS1PTGS2
SCHEMBL4986463 0.83 AOC3 (0.42) GRIK1GRIK2GRIK3

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 KMT2A 1674/4885POLB 2873/4885HTT 1941/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A KMT2A 1763/4885POLB 2711/4885HTT 2001/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A KMT2A 1678/4885POLB 2992/4885HTT 2005/4885

“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.