SCHEMBL12734232

SCHEMBL12734232

CCC(C)Oc1cc(Oc2ccc(S(C)(=O)=O)nc2)cc2cc(C(N)=O)[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GCK P35557 13/20 0.38
XDH P47989 3/20 0.33
MAP3K7 O43318 1/20 0.32
TAB1 Q15750 1/20 0.32
GPR119 Q8TDV5 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL12734229 0.92 XDH (0.41) GCKXDHHDAC1HDAC2HDAC8
SCHEMBL1075816 0.91 GCK (0.41) GCK
SCHEMBL1076960 0.88 GCK (0.36) GCK
SCHEMBL1075448 0.87 GCK (0.36) GCK
SCHEMBL1076711 0.86 CHEK2 (0.36) GCKXDH
SCHEMBL564696 0.84 GCK (0.36) GCKXDH
SCHEMBL1076539 0.83 GCK (0.42) GCK
SCHEMBL564574 0.82 SYK (0.38) GCKXDH
SCHEMBL12734076 0.82 CHEK2 (0.37) XDHHDAC1HDAC2HDAC8
SCHEMBL1075410 0.80 GCK (0.34) 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 2 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-20110098297-A1 FUSED RING COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-28 US 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 GCK 4/4885XDH 806/4885MAP3K7 213/4885

“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.