SCHEMBL564284

SCHEMBL564284

CS(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])c(OC3CCOCC3)c2)nc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 2/20 0.40
GCK P35557 5/20 0.40
TBK1 Q9UHD2 2/20 0.37
GPR119 Q8TDV5 1/20 0.37
MAPT P10636 1/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
BCL6 P41182 1/20 0.35
BCOR Q6W2J9 1/20 0.35
LRRK2 Q5S007 1/20 0.35
BRD4 O60885 1/20 0.35
SERPINE1 P05121 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
LMNA P02545 1/20 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
SCHEMBL563822 0.86 GCK (0.41) GCKTBK1GPR119PIK3R1PIK3CA
SCHEMBL564333 0.83 GCK (0.39) TXNRD1GCKTBK1GPR119MAPT
SCHEMBL1038221 0.79 ALDH1A1 (0.43) TXNRD1GCKMAPTSERPINE1
SCHEMBL27806730 0.79 MAPT (0.45) TXNRD1MAPTLMNA
SCHEMBL564866 0.79 BRD4 (0.36) TXNRD1GCKMAPTPIK3CABCL6
SCHEMBL15309123 0.77 GCK (0.40) GCKTBK1GPR119LMNA
SCHEMBL15309124 0.77 GCK (0.40) GCKTBK1GPR119LMNA
SCHEMBL1039049 0.76 POLB (0.44) TXNRD1MAPTLMNA
SCHEMBL563581 0.75 GCK (0.39) GCKTBK1GPR119PIK3CALRRK2
SCHEMBL564734 0.74 ALDH1A1 (0.36) TXNRD1MAPTPIK3CABCL6BCOR

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 TXNRD1 1360/4885GCK 5/4885TBK1 2600/4885

“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.