SCHEMBL563560

SCHEMBL563560

CCc1cc(Oc2ccc(S(C)(=O)=O)nc2)ccc1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.36
PIP5K1C O60331 1/20 0.36
PIK3CB P42338 1/20 0.36
PI4KA P42356 1/20 0.36
PIK3CG P48736 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
GCK P35557 3/20 0.36
NR4A1 P22736 1/20 0.35
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
TNK2 Q07912 1/20 0.33
ATP4A P20648 1/20 0.33
ATP4B P51164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32

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
SCHEMBL564466 0.83 PIK3CD (0.38) PIK3CDPIP5K1CPIK3CBPI4KAPIK3CG
SCHEMBL1677227 0.82 MMP2 (0.43) PIK3CDPIP5K1CPIK3CBPI4KAPIK3CG
SCHEMBL430621 0.79 NR4A1 (0.54) NR4A1ATP4AATP4BALDH1A1POLB
SCHEMBL31558888 0.79 NR4A1 (0.54) NR4A1ATP4AATP4BALDH1A1POLB
SCHEMBL564713 0.78 ALDH1A1 (0.47) PIK3CDPIP5K1CPIK3CBPI4KAPIK3CG
SCHEMBL1677309 0.77 CYP19A1 (0.41) MAPT
SCHEMBL29764036 0.76 NR4A1 (0.50) NR4A1ATP4AATP4BALDH1A1POLB
SCHEMBL29639 0.76 NR4A1 (0.50) NR4A1ATP4AATP4BALDH1A1POLB
SCHEMBL564654 0.74 PIK3CA (0.41) PIK3CDPIK3CBPIK3CGGCKGPR119
SCHEMBL564696 0.73 GCK (0.36) GCKCDK8

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 PIK3CD 1504/4885PIP5K1C 726/4885PIK3CB 1097/4885

“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.