SCHEMBL1075263

SCHEMBL1075263

COCC(COC)Oc1cc(Oc2ccc(S(C)(=O)=O)cn2)cc2cc(C(=O)O)[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GCK P35557 10/20 0.38
P2RX3 P56373 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
ADAMTS4 O75173 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP13 P45452 1/20 0.33
MMP14 P50281 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
KCNH2 Q12809 3/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
XDH P47989 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
HAO1 Q9UJM8 1/20 0.30

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
SCHEMBL1076441 0.92 GCK (0.39) GCKP2RX3ALDH1A1ADAMTS4MMP1
SCHEMBL1076316 0.92 GCK (0.37) GCKP2RX3ALDH1A1ADAMTS4MMP1
SCHEMBL1076395 0.90 GCK (0.35) GCKP2RX3ALDH1A1KCNH2HTT
SCHEMBL1077793 0.88 GCK (0.38) GCKP2RX3ALDH1A1KDM4ELMNA
SCHEMBL1077244 0.87 KDM4E (0.43) GCKP2RX3ALDH1A1KDM4ELMNA
SCHEMBL4450129 0.84 ALDH1A1 (0.35) P2RX3ALDH1A1KDM4ELMNAHPGD
SCHEMBL1076738 0.83 GCK (0.37) GCKALDH1A1KDM4ELMNAHPGD
SCHEMBL13665698 0.83 GCK (0.34) GCKKCNH2
SCHEMBL1077299 0.81 GCK (0.33) GCKKCNH2
SCHEMBL1075943 0.81 ADAMTS4 (0.36) P2RX3ALDH1A1KDM4ELMNAHPGD

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 GCK 4/4885P2RX3 2372/4885ALDH1A1 305/4885

“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.