Sugi Predict

Sugi Predict / Compounds / SCHEMBL4990074

SCHEMBL4990074

SCHEMBL4990074

CC(CC(CN)C(=O)O)C(C)c1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NISCH Q9Y2I1 1/20 0.42
▸ ADRB2 P07550 1/20 0.40
▸ ADRB1 P08588 1/20 0.40
▸ CXCL8 P10145 2/20 0.39
▸ GRIK1 P39086 2/20 0.39
▸ GRIK2 Q13002 2/20 0.39
▸ AOC3 Q16853 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ANPEP P15144 1/20 0.35
▸ RNPEP Q9H4A4 1/20 0.35
▸ DNPEP Q9ULA0 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ ACP3 P15309 1/20 0.35
▸ SLC1A3 P43003 1/20 0.35
▸ SLC1A2 P43004 1/20 0.35
▸ SLC1A1 P43005 1/20 0.35
▸ GRM2 Q14416 1/20 0.35
▸ GRM3 Q14832 1/20 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
SCHEMBL4989962 0.89 PNMT (0.44) NISCHCXCL8GRIK1GRIK2MEN1
SCHEMBL4992396 0.85 NISCH (0.44) NISCHADRB2ADRB1CXCL8GRIK1
SCHEMBL4981549 0.84 GRIK1 (0.40) CXCL8GRIK1GRIK2KMT2AANPEP
SCHEMBL4986423 0.84 TSHR (0.41) GRIK1GRIK2ANPEPRNPEPDNPEP
SCHEMBL4989209 0.84 MME (0.38) GRIK1GRIK2ANPEPRNPEPDNPEP
SCHEMBL4992947 0.83 ALDH1A1 (0.38) GRIK1GRIK2MEN1KMT2ACASP1
SCHEMBL4986133 0.83 LMNA (0.44) MEN1KMT2ACASP1ALDH1A1
SCHEMBL4990822 0.83 GAA (0.38) MEN1KMT2AANPEPRNPEPDNPEP
SCHEMBL27644395 0.82 GRIK1 (0.46) CXCL8GRIK1GRIK2AOC3SLC1A3
SCHEMBL4990987 0.82 KMT2A (0.44) GRIK1GRIK2KMT2A

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 NISCH 3125/4885ADRB2 64/4885ADRB1 123/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A NISCH 2941/4885ADRB2 43/4885ADRB1 97/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A NISCH 2961/4885ADRB2 60/4885ADRB1 129/4885

“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.