SCHEMBL3209033

SCHEMBL3209033

CC(O)(c1cccc(C(F)(F)F)c1)c1cc2cccc(-c3cccc(C(=O)O)c3)c2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 3/20 0.47
S1PR4 O95977 2/20 0.46
S1PR5 Q9H228 2/20 0.46
RXRA P19793 2/20 0.43
RXRB P28702 1/20 0.43
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SRD5A2 P31213 1/20 0.40
AKR1C3 P42330 3/20 0.40
AKR1C2 P52895 3/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
CFTR P13569 1/20 0.39
PIN1 Q13526 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL1847685 0.95 GPR52 (0.47) GPR52S1PR4S1PR5RXRARXRB
SCHEMBL3215806 0.91 GPR52 (0.50) GPR52S1PR4S1PR5AKR1C3AKR1C2
SCHEMBL1851681 0.88 GPR52 (0.67) GPR52S1PR4S1PR5ALDH1A1
SCHEMBL1847987 0.87 GPR52 (0.48) GPR52S1PR4S1PR5ALDH1A1MEN1
SCHEMBL1847683 0.86 MAPT (0.50) GPR52ALDH1A1MEN1KMT2ARAB9A
SCHEMBL3206663 0.85 GPR52 (0.68) GPR52S1PR4S1PR5ALDH1A1
SCHEMBL3209846 0.84 GPR52 (0.69) GPR52S1PR4S1PR5ALDH1A1
SCHEMBL3221889 0.83 GPR52 (0.71) GPR52S1PR4S1PR5ALDH1A1
SCHEMBL1847676 0.83 GPR52 (0.44) GPR52S1PR4S1PR5ALDH1A1SMN1; SMN2
SCHEMBL1851679 0.80 GPR52 (0.49) GPR52S1PR4S1PR5ALDH1A1HDAC1

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 1/4885S1PR4 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.