SCHEMBL1677193

SCHEMBL1677193

COC(=O)c1cc2cc(Oc3ccc(S(C)(=O)=O)nc3)cc(OC)c2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.44
GCK P35557 4/20 0.40
ABL1 P00519 2/20 0.38
SRC P12931 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
ALK Q9UM73 1/20 0.37
MAPT P10636 3/20 0.35
IDO1 P14902 1/20 0.35
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
ALPL P05186 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL1677379 0.91 XDH (0.42) XDHGCKABL1SRCNPC1
SCHEMBL1075201 0.91 KDM4E (0.44) XDHGCKIDO1LMNAALPL
SCHEMBL1076711 0.90 CHEK2 (0.36) XDHGCKMAPTIDO1LMNA
SCHEMBL1075160 0.89 XDH (0.44) XDHGCKABL1SRCALPL
SCHEMBL1075666 0.87 XDH (0.40) XDHGCKABL1SRCMAPT
SCHEMBL1075818 0.87 GCK (0.33) XDHGCKIDO1
SCHEMBL12734129 0.85 XDH (0.47) XDHABL1SRCGLAGAA
SCHEMBL1074681 0.82 KDM4E (0.41) GCKGLAGAAMAPTNPC1
SCHEMBL1074706 0.81 GCK (0.38) XDHGCKNPC1LMNAALPL
SCHEMBL1077370 0.81 XDH (0.43) XDHGCKABL1SRCGLA

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 5 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
US-20110098297-A1 FUSED RING COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-28 US 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 4/4885ABL1 2097/4885

“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.