SCHEMBL9917050

SCHEMBL9917050

CCc1nc(C(=O)O)c(C)o1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.39
GAA P10253 1/20 0.37
TARBP2 Q15633 6/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
GRIA1 P42261 1/20 0.33
GRIA3 P42263 1/20 0.33
KDM1A O60341 1/20 0.33
PDCD4 Q53EL6 1/20 0.32
FBP1 P09467 1/20 0.32
NPC1 O15118 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
PDE4B Q07343 1/20 0.31
LMNA P02545 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL18781940 0.85 HCRTR1 (0.39) HCAR2TARBP2HCRTR1HCRTR2GRIA1
SCHEMBL348144 0.82 HCRTR1 (0.35) HCAR2TARBP2HCRTR1HCRTR2GRIA1
SCHEMBL17162356 0.82 HCRTR1 (0.35) HCAR2TARBP2HCRTR1HCRTR2GRIA1
SCHEMBL2839466 0.82 HCAR2 (0.41) HCAR2TARBP2HCRTR1HCRTR2FBP1
SCHEMBL2570229 0.82 GAA (0.38) HCAR2GAATARBP2FBP1NPC1
SCHEMBL18781937 0.79 HCRTR1 (0.38) TARBP2HCRTR1HCRTR2GRIA1GRIA3
SCHEMBL12377784 0.79 NPSR1 (0.47) GAATARBP2HCRTR1HCRTR2PDCD4
SCHEMBL9917051 0.75 HCRTR1 (0.48) GAATARBP2HCRTR1HCRTR2PDCD4
SCHEMBL2592346 0.74 FBP1 (0.38) HCAR2GAAFBP1
SCHEMBL287238 0.74 ALDH1A1 (0.33) HCAR2TARBP2GRIA1GRIA3KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149710-A1 SORTASE A INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2012-06-14 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-20120149710-A1 SORTASE A INHIBITORS STS, ENGASE, SPR HCAR2 1820/4885GAA 34/4885TARBP2 4186/4885

“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.