SCHEMBL3204129

SCHEMBL3204129

CCOC(=O)c1cccc(-c2cccc3cc(Cc4ccc(=O)n(CC(F)(F)F)c4)sc23)c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 8/20 0.49
PRKDC P78527 1/20 0.37
S1PR4 O95977 1/20 0.37
S1PR5 Q9H228 1/20 0.37
PIK3CA P42336 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL3196519 0.86 GPR52 (0.47) GPR52PRKDCS1PR4S1PR5
SCHEMBL3215801 0.84 GPR52 (0.45) GPR52PRKDCPIK3CA
SCHEMBL3218822 0.83 GPR52 (0.67) GPR52
SCHEMBL1848119 0.81 GPR52 (0.71) GPR52S1PR4S1PR5
SCHEMBL3213279 0.80 GPR52 (0.51) GPR52PRKDCS1PR4S1PR5PIK3CA
SCHEMBL1850789 0.80 GPR52 (0.53) GPR52PRKDCS1PR4S1PR5
SCHEMBL3204381 0.79 GPR52 (0.49) GPR52PRKDCS1PR4S1PR5PIK3CA
SCHEMBL1849612 0.79 GPR52 (0.48) GPR52PRKDCS1PR4S1PR5
SCHEMBL3196491 0.79 GPR52 (0.52) GPR52S1PR4S1PR5
SCHEMBL1849195 0.79 GPR52 (0.51) GPR52S1PR4S1PR5PIK3CA

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-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 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-20100041891-A1 AMIDE COMPOUND GPR52, GPR132, NR5A2 GPR52 1/4885PRKDC 4721/4885S1PR4 565/4885

“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.