SCHEMBL1083151

SCHEMBL1083151

CCOC(=O)C(C)=NNc1ccc(Oc2ccc(S(C)(=O)=O)cn2)cc1OC(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 8/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RORC P51449 1/20 0.36
GCK P35557 3/20 0.36
ACACA Q13085 4/20 0.35
P2RX3 P56373 2/20 0.35
LRRK2 Q5S007 1/20 0.35
PDE4B Q07343 1/20 0.33
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
GPR119 Q8TDV5 1/20 0.33

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
SCHEMBL12807206 1.00 ACACB (0.37) ACACBALDH1A1HTTNPSR1RORC
SCHEMBL1677905 1.00 ACACB (0.37) ACACBALDH1A1HTTNPSR1RORC
SCHEMBL1677556 0.90 ALDH1A1 (0.38) ACACBALDH1A1HTTNPSR1GCK
SCHEMBL1083112 0.90 ALDH1A1 (0.38) ACACBALDH1A1HTTNPSR1GCK
SCHEMBL15576381 0.90 ALDH1A1 (0.38) ACACBALDH1A1HTTNPSR1GCK
SCHEMBL12734100 0.89 ACACB (0.40) ACACBACACA
SCHEMBL1082996 0.87 ALDH1A1 (0.39) ACACBALDH1A1HTTNPSR1ACACA
SCHEMBL1677264 0.87 ALDH1A1 (0.39) ACACBALDH1A1HTTNPSR1ACACA
SCHEMBL12807186 0.87 ALDH1A1 (0.39) ACACBALDH1A1HTTNPSR1ACACA
SCHEMBL564741 0.83 GCK (0.38) ACACBALDH1A1HTTNPSR1GCK

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 4 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
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

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 ACACB 695/4885ALDH1A1 305/4885HTT 2320/4885

“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.