Sugi Predict

Sugi Predict / Compounds / SCHEMBL1817585

SCHEMBL1817585

SCHEMBL1817585

CC(C)Cc1cccc(C[C@@H](CN)C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.50
▸ ANPEP P15144 3/20 0.48
▸ RNPEP Q9H4A4 1/20 0.48
▸ DNPEP Q9ULA0 1/20 0.48
▸ ERAP2 Q6P179 1/20 0.48
▸ FOLH1 Q04609 6/20 0.48
▸ CPA3 P15088 3/20 0.46
▸ ERAP1 Q9NZ08 1/20 0.45
▸ SLC1A3 P43003 1/20 0.45
▸ SLC1A2 P43004 1/20 0.45
▸ SLC1A1 P43005 1/20 0.45
▸ CPA1 P15085 2/20 0.45
▸ CPB1 P15086 1/20 0.45
▸ CPB2 Q96IY4 1/20 0.45

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
SCHEMBL1812809 0.92 PNMT (0.53) CYP1A2ANPEPRNPEPDNPEPERAP2
SCHEMBL6532923 0.84 CYP1A2 (0.50) CYP1A2ANPEPERAP2FOLH1CPA3
SCHEMBL22714101 0.82 GRIA2 (0.55) CYP1A2ANPEPERAP2FOLH1CPA3
SCHEMBL558159 0.81 CYP1A2 (0.76) CYP1A2ANPEPERAP2FOLH1CPA3
SCHEMBL4738634 0.81 CYP1A2 (0.76) CYP1A2ANPEPERAP2FOLH1CPA3
SCHEMBL5171909 0.81 CYP1A2 (0.76) CYP1A2ANPEPERAP2FOLH1CPA3
SCHEMBL1814454 0.81 CYP1A2 (0.50) CYP1A2ANPEPERAP2FOLH1CPA3
SCHEMBL1817242 0.81 PNMT (0.53) CYP1A2FOLH1CPA3SLC1A3SLC1A2
SCHEMBL1817614 0.81 PNMT (0.53) CYP1A2FOLH1CPA3SLC1A3SLC1A2
SCHEMBL1818938 0.81 CYP1A2 (0.50) CYP1A2ANPEPERAP2FOLH1CPA3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124705-A1 PRODRUGS OF ALPHA-2-DELTA LIGANDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2011-05-26 — — US claimed
EP-1883620-A1 ß-AMINO ACID DERIVATIVES Pfizer Limited (GB) 2008-02-06 — — EP claimed
WO-2006120544-A1 β-AMINO ACID DERIVATIVES PFIZER LIMITED (GB) 2006-11-16 — — WO claimed
US-20110130454-A1 PRODRUGS OF GAMMA-AMINO ACID, ALPHA-2-DELTA LIGANDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2011-06-02 — — US disclosed
US-20110124705-A1 PRODRUGS OF ALPHA-2-DELTA LIGANDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2011-05-26 — — US disclosed
EP-1883620-A1 ß-AMINO ACID DERIVATIVES Pfizer Limited (GB) 2008-02-06 — — EP disclosed
WO-2006120544-A1 β-AMINO ACID DERIVATIVES PFIZER LIMITED (GB) 2006-11-16 — — WO disclosed
WO-2006120544-A1 β-AMINO ACID DERIVATIVES PFIZER LIMITED (GB) 2006-11-16 — — WO 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 (2 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-20110130454-A1 PRODRUGS OF GAMMA-AMINO ACID, ALPHA-2-DELTA LIGANDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF CHRND, CHRNE, OPRD1 CYP1A2 395/4885ANPEP 148/4885RNPEP 666/4885
US-20110124705-A1 PRODRUGS OF ALPHA-2-DELTA LIGANDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF CHRND, CHRNE, CHRNG CYP1A2 174/4885ANPEP 1478/4885RNPEP 2110/4885

“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.