SCHEMBL1853547

SCHEMBL1853547

CCOC(=O)c1cc(-c2ccc(F)c3cc(CO)sc23)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPK14 Q16539 1/20 0.38
ALDH1A1 P00352 4/20 0.38
GAA P10253 3/20 0.38
ALOX15 P16050 3/20 0.38
HSD17B10 Q99714 3/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 2/20 0.37
PRKCZ Q05513 2/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK1 P28482 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 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
SCHEMBL1854460 0.95 NPC1 (0.36) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1851411 0.90 NPC1 (0.37) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1850410 0.86 GPR52 (0.47) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1859640 0.83 GPR52 (0.47) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1851614 0.83 GPR52 (0.38) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1851317 0.81 GPR52 (0.43) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1855839 0.79 GPR52 (0.36) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1852550 0.76 GPR52 (0.46) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1850115 0.74 GPR52 (0.44) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3200799 0.73 GPR52 (0.38) MAPTNPC1RAB9ASMN1; SMN2KDM4E

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
EP-2323978-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-05-25 EP disclosed
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 MAPT 4174/4885NPC1 2479/4885RAB9A 2891/4885

“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.