SCHEMBL564829

SCHEMBL564829

CCOC(=O)c1cc2cc(Oc3ccc(S(C)(=O)=O)nc3)cc(OC3CCOCC3)c2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 2/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GCK P35557 9/20 0.37
GPR119 Q8TDV5 1/20 0.37
MMP2 P08253 2/20 0.35
MMP13 P45452 2/20 0.35
MEN1 O00255 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PIK3CD O00329 2/20 0.35

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
SCHEMBL563828 0.89 GCK (0.39) GCKGPR119KMT2APIK3CDPIK3CA
SCHEMBL565153 0.89 KDM4E (0.37) KDM4ENPC1ALDH1A1LMNAHPGD
SCHEMBL564358 0.89 GCK (0.38) GCKGPR119PIK3CDPIK3CA
SCHEMBL564632 0.88 GCK (0.43) KDM4ENPC1ALDH1A1LMNAHPGD
SCHEMBL564250 0.86 GCK (0.36) GCKGPR119PIK3CDPIK3CA
SCHEMBL563584 0.86 KDM4E (0.40) KDM4ENPC1ALDH1A1LMNAHPGD
SCHEMBL563948 0.85 GCK (0.37) KDM4ENPC1ALDH1A1LMNAHPGD
SCHEMBL1074681 0.84 KDM4E (0.41) KDM4ENPC1ALDH1A1LMNAHPGD
SCHEMBL564680 0.82 KDM4E (0.37) KDM4ENPC1ALDH1A1LMNAHPGD
SCHEMBL564458 0.82 RAB9A (0.44) KDM4ENPC1ALDH1A1LMNAHPGD

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-8557805-B2 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-15 US disclosed
US-20120035163-A1 NOVEL FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-02-09 US disclosed
EP-2371826-A1 NOVEL FUSED RING COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-10-05 EP 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-20120035163-A1 NOVEL FUSED RING COMPOUND AND USE THEREOF GPR119, GCKR, SLC5A1 KDM4E 1414/4885NPC1 714/4885ALDH1A1 351/4885

“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.