SCHEMBL31290956

SCHEMBL31290956

COc1ccc(CN(C(=O)OC(C)(C)C)c2ccc(C=O)c(F)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.37
TSPO P30536 1/20 0.37
BCL2A1 Q16548 4/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GRM2 Q14416 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
NR1D1 P20393 1/20 0.35
USP2 O75604 1/20 0.35
HTT P42858 1/20 0.34
APLNR P35414 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
SCHEMBL1887250 1.00 MLYCD (0.37) MLYCDTSPOBCL2A1MEN1KMT2A
SCHEMBL12675057 0.89 GRM2 (0.36) GRM2
SCHEMBL1266645 0.88 BCL2A1 (0.37) MLYCDBCL2A1ALDH1A1LMNAGRM2
SCHEMBL1267786 0.86 ERN1 (0.39) GRM2
SCHEMBL1890755 0.84 GRM2 (0.33) LMNAGRM2
SCHEMBL2599983 0.84 GRM2 (0.37) GRM2
SCHEMBL12675091 0.84 ADORA2B (0.39) LMNAGRM2
SCHEMBL12674771 0.83 ALDH1A1 (0.36) MEN1KMT2AALDH1A1GRM2
SCHEMBL1267881 0.82 KCNH2 (0.39) GRM2
SCHEMBL2599988 0.81 SLC13A5 (0.36) GRM2

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-20240400577-A1 MODULATORS OF PROTEIN KINASES VIBLIOME THERAPEUTICS, LLC 2024-12-05 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-20240400577-A1 MODULATORS OF PROTEIN KINASES MAP3K20, PRKCE, PRKCH MLYCD 2440/4885TSPO 2685/4885BCL2A1 2429/4885

“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.