SCHEMBL559570

SCHEMBL559570

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.41
CTSL P07711 1/20 0.40
CTSA P10619 1/20 0.39
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
ATM Q13315 1/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38

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 SCHEMBL559839 0.85 MCHR1 (0.47) MCHR1PTGDR2CTSAMMP12MMP13
SCHEMBL560965 0.84 CTSL (0.39) MCHR1PTGDR2CTSLCTSBCTSS
SCHEMBL559619 0.80 GABBR2 (0.47) MCHR1PTGDR2MMP12MMP13
SCHEMBL8904313 0.80 ATM (0.46) ATM
SCHEMBL559571 0.80 PTGDR2 (0.41) MCHR1PTGDR2CTSAMMP12MMP13
Hydrochloric Acid SCHEMBL559661 0.80 GABBR2 (0.46) MCHR1PTGDR2MMP12MMP13
Hydrochloric Acid SCHEMBL559733 0.80 GABBR2 (0.46) MCHR1PTGDR2MMP12MMP13
SCHEMBL21609291 0.77 PTGFR (0.47) CTSLCTSSCTSKATM
SCHEMBL21610500 0.77 PTGFR (0.47) CTSLCTSSCTSKATM
SCHEMBL21610479 0.77 CTSS (0.47) CTSACTSBCTSSCTSK

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

“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.