SCHEMBL3206423

SCHEMBL3206423

Cn1cc(Cc2cc3cccc(-c4cccc(C(=O)O)c4)c3s2)ccc1=O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 13/20 0.47
GPR52 Q9Y2T5 4/20 0.46
S1PR4 O95977 11/20 0.41
CREBBP Q92793 1/20 0.40
FOLH1 Q04609 1/20 0.38
PLA2G2A P14555 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
SCHEMBL3196519 0.88 GPR52 (0.47) S1PR5GPR52S1PR4
SCHEMBL13489559 0.86 GPR52 (0.65) S1PR5GPR52
SCHEMBL1849767 0.86 GPR52 (0.48) S1PR5GPR52S1PR4PLA2G2A
SCHEMBL1857402 0.83 GPR52 (0.50) S1PR5GPR52S1PR4
SCHEMBL1848475 0.81 S1PR5 (0.49) S1PR5GPR52S1PR4FOLH1PLA2G2A
SCHEMBL1850213 0.80 GPR52 (0.54) S1PR5GPR52S1PR4PLA2G2A
SCHEMBL1851263 0.80 S1PR5 (0.43) S1PR5GPR52S1PR4FOLH1
SCHEMBL1848035 0.79 GPR52 (0.53) S1PR5GPR52S1PR4FOLH1PLA2G2A
SCHEMBL1852762 0.77 GPR52 (0.54) S1PR5GPR52S1PR4PLA2G2A
SCHEMBL1846891 0.77 S1PR5 (0.53) S1PR5GPR52S1PR4FOLH1

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 S1PR5 696/4885GPR52 1/4885S1PR4 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.