SCHEMBL17334271

SCHEMBL17334271

CC(CNC(=O)OC(C)(C)C)n1nc(COc2ccccc2)cc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.41
GRM5 P41594 5/20 0.40
CHRM3 P20309 1/20 0.38
PCSK9 Q8NBP7 1/20 0.38
CPB2 Q96IY4 1/20 0.37
KDM4A O75164 1/20 0.36
GFER P55789 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HDAC1 Q13547 1/20 0.36
PTPN1 P18031 1/20 0.35
GRN P28799 1/20 0.35
SORT1 Q99523 1/20 0.35
GHSR Q92847 1/20 0.35
EGLN2 Q96KS0 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
SCHEMBL17334270 1.00 SYK (0.41) SYKGRM5CHRM3PCSK9CPB2
SCHEMBL17340791 0.89 SYK (0.44) SYKGRM5PCSK9
SCHEMBL25428186 0.82 PCSK9 (0.38) SYKPCSK9CPB2GFERHSD17B10
SCHEMBL25428181 0.82 PCSK9 (0.38) SYKPCSK9CPB2GFERHSD17B10
SCHEMBL13836586 0.81 GRM5 (0.39) SYKGRM5PCSK9KDM4AGFER
SCHEMBL26025544 0.80 SERPINE1 (0.37) SYKPCSK9CPB2GFERHSD17B10
SCHEMBL30519641 0.79 AAK1 (0.39) SYKPCSK9CPB2GFERHSD17B10
SCHEMBL16270170 0.77 SYK (0.52) SYKL3MBTL1
SCHEMBL9900973 0.76 GRM5 (0.41) GRM5
SCHEMBL25272136 0.76 HDAC6 (0.46) HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676782-B2 Substituted pyrazolo[1,5-a]pyrazines as negative allosteric modulators of metabotropic glutamate receptor 3 VANDERBILT UNIVERSITY (US) 2017-06-13 US disclosed
US-20150361081-A1 NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 3 VANDERBILT UNIVERSITY 2015-12-17 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 (1 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-20150361081-A1 NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 3 GRM3, GRM1, GRIN3A SYK 2968/4885GRM5 8/4885CHRM3 88/4885

“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.