SCHEMBL1075666

SCHEMBL1075666

COCC(COC)Oc1cc(Oc2ccc(S(C)(=O)=O)nc2)cc2cc(C(=O)OC)[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.40
GCK P35557 11/20 0.38
KCNH2 Q12809 1/20 0.33
ABL1 P00519 2/20 0.33
SRC P12931 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 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
SCHEMBL1076738 0.92 GCK (0.37) XDHGCKKDM4EALDH1A1
SCHEMBL1075448 0.91 GCK (0.36) GCKKCNH2KDM4EALDH1A1MAPT
SCHEMBL1078187 0.89 GCK (0.34) GCK
SCHEMBL1677193 0.87 XDH (0.44) XDHGCKABL1SRCMAPT
SCHEMBL1677379 0.86 XDH (0.42) XDHGCKABL1SRCKDM4E
SCHEMBL1076539 0.84 GCK (0.42) GCKKCNH2ABL1
SCHEMBL1075816 0.83 GCK (0.41) GCKKCNH2ABL1
SCHEMBL1076441 0.83 GCK (0.39) XDHGCKKCNH2ABL1SRC
SCHEMBL1075160 0.82 XDH (0.44) XDHGCKABL1SRC
SCHEMBL13665435 0.82 GCK (0.33) GCK

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 XDH 806/4885GCK 4/4885KCNH2 2388/4885

“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.