Sugi Predict

Sugi Predict / Compounds / SCHEMBL4990096

SCHEMBL4990096

SCHEMBL4990096

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.51
▸ TAAR1 Q96RJ0 3/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ FOLH1 Q04609 1/20 0.47
▸ ESR1 P03372 2/20 0.42
▸ ESR2 Q92731 2/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ SLC1A3 P43003 1/20 0.41
▸ SLC1A2 P43004 1/20 0.41
▸ SLC1A1 P43005 1/20 0.41
▸ ANPEP P15144 3/20 0.40
▸ ERAP2 Q6P179 2/20 0.40
▸ ERAP1 Q9NZ08 2/20 0.40
▸ RNPEP Q9H4A4 1/20 0.40
▸ DNPEP Q9ULA0 1/20 0.40
▸ LAP3 P28838 1/20 0.40
▸ ENPEP Q07075 1/20 0.40
▸ ACE P12821 3/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ OPRK1 P41145 1/20 0.40

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
SCHEMBL4987946 0.88 CYP1A2 (0.41) ESR1CYP1A2SLC1A3SLC1A2SLC1A1
SCHEMBL4989923 0.86 MME (0.43) ESR1CYP1A2SLC1A3SLC1A2SLC1A1
SCHEMBL4986563 0.86 PPARG (0.48) SLC6A2ANPEPRNPEPDNPEPMME
SCHEMBL4983789 0.86 ANPEP (0.45) SLC7A5TAAR1SLC6A2FOLH1ANPEP
SCHEMBL4989063 0.84 ANPEP (0.35) SLC7A5FOLH1CYP1A2SLC1A3SLC1A2
SCHEMBL4990957 0.84 LDHA (0.58) CYP1A2
SCHEMBL4991365 0.84 GRIK1 (0.47) SLC7A5TAAR1SLC6A2FOLH1ESR1
SCHEMBL4990094 0.84 ALOX15 (0.55) SLC7A5SLC6A2ESR1CYP1A2ACE
SCHEMBL4738660 0.83 SLC7A5 (0.61) SLC7A5TAAR1SLC6A2FOLH1CYP1A2
SCHEMBL4620825 0.83 SLC7A5 (0.61) SLC7A5TAAR1SLC6A2FOLH1CYP1A2

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 SLC7A5 883/4885TAAR1 1437/4885SLC6A2 368/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A SLC7A5 886/4885TAAR1 1172/4885SLC6A2 350/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A SLC7A5 750/4885TAAR1 1489/4885SLC6A2 320/4885

“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.