SCHEMBL563587

SCHEMBL563587

CCOC(=O)/C(C)=N/Nc1ccc(Oc2ccc(S(C)(=O)=O)nc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 4/20 0.40
LMNA P02545 3/20 0.40
KYAT1 Q16773 5/20 0.40
NPSR1 Q6W5P4 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ATM Q13315 1/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
GCK P35557 1/20 0.37
KDR P35968 1/20 0.36
HTT P42858 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
SCHEMBL564347 0.86 GCK (0.36) GAAMAPTMEN1KMT2AALDH1A1
SCHEMBL15309097 0.85 MAPT (0.37) GAAMAPTMEN1KMT2AALDH1A1
SCHEMBL15309096 0.85 MAPT (0.37) GAAMAPTMEN1KMT2AALDH1A1
SCHEMBL563375 0.85 GCK (0.36) GAAMAPTMEN1KMT2AALDH1A1
SCHEMBL1038690 0.85 GCK (0.36) GAAMAPTMEN1KMT2AALDH1A1
SCHEMBL12807182 0.85 GCK (0.36) GAAMAPTMEN1KMT2AALDH1A1
SCHEMBL1677602 0.85 GCK (0.36) GAAMAPTMEN1KMT2AALDH1A1
SCHEMBL1677149 0.83 GCK (0.35) GAAMAPTMEN1KMT2AALDH1A1
SCHEMBL15576378 0.83 GCK (0.35) GAAMAPTMEN1KMT2AALDH1A1
SCHEMBL1038980 0.83 GCK (0.35) GAAMAPTMEN1KMT2AALDH1A1

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 GAA 57/4885MAPT 4051/4885MEN1 3151/4885

“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.