Sugi Predict

Sugi Predict / Compounds / SCHEMBL4985166

SCHEMBL4985166

SCHEMBL4985166

CCC(Cc1cc(Cl)cc(Cl)c1)CC(CN)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ CPB2 Q96IY4 2/20 0.36
▸ PPARA Q07869 1/20 0.35
▸ MME P08473 4/20 0.34
▸ GRN P28799 1/20 0.34
▸ SORT1 Q99523 1/20 0.34
▸ CHRM1 P11229 1/20 0.33
▸ TBXA2R P21731 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ NR3C2 P08235 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ SLC1A3 P43003 1/20 0.33
▸ SLC1A2 P43004 1/20 0.33

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
SCHEMBL4989945 0.87 PNMT (0.47) EPHX2PPARGPPARASLC1A3SLC1A2
SCHEMBL4989668 0.86 MMP2 (0.36) EPHX2PPARGCPB2MMEGRN
SCHEMBL4987975 0.86 PPARG (0.52) EPHX2PPARGPPARAMME
SCHEMBL4986560 0.84 CPB2 (0.35) EPHX2PPARGCPB2PPARAMME
SCHEMBL4989643 0.84 ANPEP (0.40) PPARGCPB2PPARACHRM1TBXA2R
SCHEMBL4985333 0.84 CPB2 (0.37) EPHX2PPARGCPB2CHRM1TBXA2R
SCHEMBL4983661 0.84 GRIK1 (0.37) EPHX2PPARGCPB2PPARAMME
SCHEMBL4986691 0.83 CPB2 (0.36) EPHX2PPARGCPB2PPARAMME
SCHEMBL4994618 0.83 CPB2 (0.36) EPHX2PPARGCPB2PPARAMME
SCHEMBL4987663 0.82 GRN (0.38) EPHX2PPARGCPB2MMEGRN

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 EPHX2 3970/4885PPARG 1820/4885CPB2 1747/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A EPHX2 3738/4885PPARG 1405/4885CPB2 1342/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A EPHX2 3738/4885PPARG 1828/4885CPB2 1460/4885

“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.