SCHEMBL560965

SCHEMBL560965

CC(C)(C)OC(=O)NC[C@@H](c1ccc(Cl)c(-c2cccc(C#N)c2)c1)C(C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.38
MCHR1 Q99705 8/20 0.38
CTSS P25774 5/20 0.37
CTSK P43235 5/20 0.37
CTSB P07858 2/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
NCOA1 Q15788 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
CNR2 P34972 1/20 0.35
EIF4E P06730 1/20 0.35

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
SCHEMBL559572 0.88 PTGDR2 (0.40) PTGDR2MCHR1CNR2EIF4E
SCHEMBL559570 0.84 MCHR1 (0.43) CTSLPTGDR2MCHR1CTSSCTSK
SCHEMBL559571 0.80 PTGDR2 (0.41) PTGDR2MCHR1MEN1KMT2ACNR2
SCHEMBL3660901 0.73 CTSS (0.48) CTSLMCHR1CTSSCTSKCTSB
SCHEMBL30771381 0.73 CTSS (0.47) CTSLCTSSCTSKCTSB
Hydrochloric Acid SCHEMBL559838 0.71 PTGDR2 (0.43) PTGDR2MCHR1CNR2EIF4E
SCHEMBL6028072 0.70 CTSS (0.46) CTSLCTSSCTSKCTSBCNR2
Hydrochloric Acid SCHEMBL559839 0.70 MCHR1 (0.47) PTGDR2MCHR1EIF4E
SCHEMBL31724229 0.70 CTSS (0.44) CTSLCTSSCTSKCTSBPDCD1
SCHEMBL14484488 0.69 CTSS (0.40) PTGDR2MCHR1CTSSCTSKCTSB

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 3 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
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

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 CTSL 4574/4885PTGDR2 268/4885MCHR1 754/4885
US-20120035139-A9 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS GABRB2, GABRB1, GABRB3 CTSL 4574/4885PTGDR2 268/4885MCHR1 754/4885

“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.