SCHEMBL3198656

SCHEMBL3198656

O=C(O)c1cccc(-c2cccc3cc(C(O)c4cccc(C(F)(F)F)c4)sc23)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 5/20 0.49
S1PR4 O95977 2/20 0.46
S1PR5 Q9H228 2/20 0.46
CES2 O00748 1/20 0.43
AKR1C3 P42330 3/20 0.41
AKR1C2 P52895 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SRD5A2 P31213 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CFTR P13569 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SCD O00767 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
SCHEMBL1850455 0.95 GPR52 (0.49) GPR52S1PR4S1PR5CES2AKR1C3
SCHEMBL3219110 0.91 GPR52 (0.51) GPR52S1PR4S1PR5CES2AKR1C3
SCHEMBL1849541 0.89 GPR52 (0.66) GPR52S1PR4S1PR5ALDH1A1SCD
SCHEMBL3206554 0.89 GPR52 (0.46) GPR52S1PR4S1PR5CES2AKR1C3
SCHEMBL1850454 0.87 MAPT (0.52) GPR52ALDH1A1MEN1KMT2ARAB9A
SCHEMBL3204669 0.87 GPR52 (0.49) GPR52S1PR4S1PR5CES2ALDH1A1
SCHEMBL3209079 0.85 GPR52 (0.70) GPR52S1PR4S1PR5ALDH1A1SCD
SCHEMBL3198211 0.84 GPR52 (0.70) GPR52S1PR4S1PR5ALDH1A1SCD
SCHEMBL1849010 0.84 GPR52 (0.54) GPR52S1PR4S1PR5ALDH1A1MEN1
SCHEMBL1850452 0.84 GPR52 (0.46) GPR52S1PR4S1PR5CES2AKR1C3

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
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed
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 1/4885S1PR4 565/4885S1PR5 696/4885

“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.