SCHEMBL1077264

SCHEMBL1077264

COc1cc(Oc2ccc(S(C)(=O)=O)cn2)cc2cc(C(N)=O)[nH]c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.37
GCK P35557 1/20 0.35
BRD4 O60885 1/20 0.35
IDO1 P14902 1/20 0.34
ALDH1A1 P00352 3/20 0.34
PDE4B Q07343 2/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CHEK2 O96017 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 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
SCHEMBL1075164 0.91 KCNH2 (0.36) KCNH2GCKIDO1ALDH1A1HTT
SCHEMBL1077244 0.91 KDM4E (0.43) KCNH2GCKIDO1ALDH1A1HTT
SCHEMBL1077370 0.90 XDH (0.43) KCNH2GCKIDO1ALDH1A1HTT
SCHEMBL1077179 0.89 GCK (0.37) GCKBRD4ALDH1A1P2RX3
SCHEMBL1076316 0.87 GCK (0.37) KCNH2GCKBRD4ALDH1A1HTT
SCHEMBL12734170 0.85 CHEK2 (0.42) IDO1ALDH1A1HTTCHEK2HDAC3
SCHEMBL1076346 0.85 GCK (0.40) GCKBRD4ALDH1A1CHEK2KDM4E
SCHEMBL564635 0.84 GCK (0.39) GCKBRD4
SCHEMBL4450129 0.82 ALDH1A1 (0.35) KCNH2ALDH1A1HTTNPSR1KDM4E
SCHEMBL1076711 0.81 CHEK2 (0.36) GCKIDO1ALDH1A1CHEK2KDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673942-B2 Fused ring compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-18 US disclosed
US-8673942-B2 Fused ring compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-18 US disclosed
US-20110098297-A1 FUSED RING COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-28 US disclosed
EP-2276760-A1 FUSED RING COMPOUNDS AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-01-26 EP disclosed
WO-2009125873-A1 FUSED RING COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-15 WO disclosed
WO-2009125873-A1 FUSED RING COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-15 WO 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-20110098297-A1 FUSED RING COMPOUNDS AND USE THEREOF GCKR, GPR119, SLC5A1 KCNH2 2388/4885GCK 4/4885BRD4 959/4885

“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.