Sugi Predict

Sugi Predict / Compounds / SCHEMBL4987946

SCHEMBL4987946

SCHEMBL4987946

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.41
▸ SLC1A3 P43003 1/20 0.41
▸ SLC1A2 P43004 1/20 0.41
▸ SLC1A1 P43005 1/20 0.41
▸ PPARG P37231 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ ANPEP P15144 1/20 0.40
▸ RNPEP Q9H4A4 1/20 0.40
▸ DNPEP Q9ULA0 1/20 0.40
▸ GRIK1 P39086 1/20 0.40
▸ GRIK2 Q13002 1/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ PTGS1 P23219 3/20 0.39
▸ PTGS2 P35354 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ AKR1C3 P42330 2/20 0.39
▸ CXCR1 P25024 2/20 0.39
▸ CXCR2 P25025 2/20 0.39
▸ ALB P02768 1/20 0.39

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
SCHEMBL4990096 0.88 SLC7A5 (0.51) CYP1A2SLC1A3SLC1A2SLC1A1ANPEP
SCHEMBL4989923 0.86 MME (0.43) CYP1A2SLC1A3SLC1A2SLC1A1PPARG
SCHEMBL4986563 0.86 PPARG (0.48) PPARGPPARAANPEPRNPEPDNPEP
SCHEMBL31344386 0.85 CYP1A2 (0.52) CYP1A2SLC1A3SLC1A2SLC1A1PPARG
SCHEMBL4619838 0.85 CYP1A2 (0.52) CYP1A2SLC1A3SLC1A2SLC1A1PPARG
SCHEMBL4993916 0.85 DPP4 (0.41) CYP1A2ANPEPGRIK1GRIK2
SCHEMBL4989232 0.84 ANPEP (0.41) CYP1A2SLC1A3SLC1A2SLC1A1ANPEP
SCHEMBL4990957 0.84 LDHA (0.58) CYP1A2PPARGPPARAGRIK1GRIK2
SCHEMBL4985963 0.84 PSMB8 (0.40) ANPEPRNPEPDNPEP
SCHEMBL4990670 0.83 PPARG (0.41) CYP1A2SLC1A3SLC1A2SLC1A1PPARG

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 CYP1A2 1487/4885SLC1A3 118/4885SLC1A2 57/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A CYP1A2 1628/4885SLC1A3 128/4885SLC1A2 42/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A CYP1A2 1464/4885SLC1A3 104/4885SLC1A2 29/4885

“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.