SCHEMBL564466

SCHEMBL564466

Cc1cc(Oc2ccc(S(C)(=O)=O)nc2)ccc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.38
PIP5K1C O60331 1/20 0.38
PIK3CB P42338 1/20 0.38
PI4KA P42356 1/20 0.38
PIK3CG P48736 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
NR4A1 P22736 1/20 0.37
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2C9 P11712 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CDK8 P49336 3/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.34

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
SCHEMBL1677227 0.84 MMP2 (0.43) PIK3CDPIP5K1CPIK3CBPI4KAPIK3CG
SCHEMBL563560 0.83 PIK3CD (0.36) PIK3CDPIP5K1CPIK3CBPI4KAPIK3CG
SCHEMBL564713 0.80 ALDH1A1 (0.47) PIK3CDPIP5K1CPIK3CBPI4KAPIK3CG
SCHEMBL564681 0.79 MAPT (0.43) KDM4EPOLBCYP1A2CYP2C19CYP2C9
SCHEMBL30072700 0.79 UHRF1 (0.46) NR4A1KDM4EPOLBALDH1A1CDK8
SCHEMBL4797246 0.79 UHRF1 (0.46) NR4A1KDM4EPOLBALDH1A1CDK8
SCHEMBL2361400 0.78 L3MBTL1 (0.43) PIK3CDPIP5K1CPIK3CBPI4KAPIK3CG
SCHEMBL4797769 0.77 NR4A1 (0.45) NR4A1KDM4EPOLBALDH1A1CDK8
SCHEMBL1677309 0.76 CYP19A1 (0.41) MAPTHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL486670 0.76 NR4A1 (0.61) NR4A1KDM4EPOLBALDH1A1MAPT

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.