SCHEMBL3219110

SCHEMBL3219110

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 8/20 0.51
S1PR4 O95977 1/20 0.43
S1PR5 Q9H228 1/20 0.43
CES2 O00748 1/20 0.42
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
PLAT P00750 1/20 0.39
SCD O00767 1/20 0.39
DHODH Q02127 1/20 0.39
SLC9A1 P19634 1/20 0.38
PDK2 Q15119 1/20 0.37
PNMT P11086 1/20 0.37
MET P08581 1/20 0.36
PARP1 P09874 1/20 0.36
BRAF P15056 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
SCHEMBL1850455 0.96 GPR52 (0.49) GPR52S1PR4S1PR5CES2AKR1C3
SCHEMBL1850452 0.92 GPR52 (0.46) GPR52S1PR4S1PR5CES2AKR1C3
SCHEMBL3198656 0.91 GPR52 (0.49) GPR52S1PR4S1PR5CES2AKR1C3
SCHEMBL3198211 0.87 GPR52 (0.70) GPR52S1PR4S1PR5SCD
SCHEMBL1850454 0.86 MAPT (0.52) GPR52BRAF
SCHEMBL3204669 0.86 GPR52 (0.49) GPR52S1PR4S1PR5CES2SCD
SCHEMBL1849541 0.84 GPR52 (0.66) GPR52S1PR4S1PR5SCD
SCHEMBL3209079 0.84 GPR52 (0.70) GPR52S1PR4S1PR5SCD
SCHEMBL3218871 0.82 GPR52 (0.71) GPR52S1PR4S1PR5SCD
SCHEMBL1851846 0.81 GPR52 (0.45) GPR52S1PR4S1PR5CES2SCD

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 3 patents. 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
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 US 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.