Sugi Predict

Sugi Predict / Compounds / SCHEMBL560569

SCHEMBL560569

SCHEMBL560569

O=C1C[C@H](c2ccc(Cl)c(-c3ccc(C(=O)O)cc3)c2)CN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 12/20 0.43
▸ PDE4B Q07343 7/20 0.43
▸ PDE4C Q08493 7/20 0.43
▸ PDE4D Q08499 7/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ PRKAB2 O43741 4/20 0.41
▸ PRKAG1 P54619 4/20 0.41
▸ PRKAA2 P54646 4/20 0.41
▸ PRKAA1 Q13131 4/20 0.41
▸ PRKAG3 Q9UGI9 4/20 0.41
▸ PRKAG2 Q9UGJ0 4/20 0.41
▸ PRKAB1 Q9Y478 4/20 0.41
▸ SRD5A2 P31213 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CYP3A4 P08684 2/20 0.37
▸ VEGFA P15692 1/20 0.37

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
SCHEMBL560386 0.87 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL2155319 0.75 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4187604 0.74 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4187595 0.74 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL559787 0.73 MRGPRX4 (0.48) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL13985029 0.72 TPMT (0.46) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6254017 0.72 TSHR (0.61) ALDH1A1SRD5A2TSHRNPC1MAPT
SCHEMBL560015 0.72 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL12498580 0.72 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL559921 0.72 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344028-B2 Gamma-amino-butyric acid derivatives as GABAB receptor ligands XENOPORT, INC. (US) 2013-01-01 — — US disclosed
EP-2419401-A2 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAb RECEPTOR LIGANDS XenoPort, Inc. (US) 2012-02-22 — — EP disclosed
US-20120035139-A9 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS XENOPORT, INC. 2012-02-09 — — US disclosed
US-20100267676-A1 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS XENOPORT, INC. 2010-10-21 — — US disclosed
WO-2010120370-A2 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS XENOPORT, INC. (US) 2010-10-21 — — 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-20100267676-A1 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS GABRB2, GABRB1, GABRB3 PDE4A 1099/4885PDE4B 742/4885PDE4C 1743/4885
US-20120035139-A9 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS GABRB2, GABRB1, GABRB3 PDE4A 1099/4885PDE4B 742/4885PDE4C 1743/4885

“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.