SCHEMBL560344

SCHEMBL560344

CC(C)[C@H](N)C(=O)NC[C@H](CC(=O)O)c1ccc(Cl)c(OCc2ccncc2)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.39
PDK2 Q15119 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 2/20 0.36
MAPT P10636 1/20 0.36
FFAR1 O14842 6/20 0.36
SCD O00767 1/20 0.35
REN P00797 2/20 0.35
HDAC8 Q9BY41 1/20 0.34
ACP1 P24666 1/20 0.34
PTPN12 Q05209 1/20 0.34
PTPN13 Q12923 1/20 0.34
SSU72 Q9NP77 1/20 0.34
NOTUM Q6P988 1/20 0.34

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
Hydrochloric Acid SCHEMBL559623 0.99 CTSA (0.38) CTSAPDK2KDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL560385 0.92 CTSA (0.39) CTSAPDK2KDM4EALDH1A1LMNA
SCHEMBL559909 0.85 CTSA (0.43) CTSALMNAHTTGAAMAPT
SCHEMBL560020 0.81 GAA (0.48) CTSALMNAGAAFFAR1SCD
Hydrochloric Acid SCHEMBL559360 0.80 GAA (0.50) CTSALMNAGAAFFAR1SCD
SCHEMBL559908 0.80 CTSA (0.43) CTSAPDK2FFAR1SCDHDAC8
SCHEMBL559907 0.75 GAA (0.41) CTSAPDK2LMNAHTTGAA
Hydrochloric Acid SCHEMBL560155 0.74 GAA (0.42) CTSAPDK2LMNAHTTGAA
SCHEMBL559357 0.72 GAA (0.47) CTSALMNAGAAFFAR1
SCHEMBL559305 0.72 GAA (0.46) LMNAGAAFFAR1

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 CTSA 2749/4885PDK2 1513/4885KDM4E 3716/4885
US-20120035139-A9 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS GABRB2, GABRB1, GABRB3 CTSA 2749/4885PDK2 1513/4885KDM4E 3716/4885

“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.