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Sugi Predict / Compounds / SCHEMBL1077370

SCHEMBL1077370

SCHEMBL1077370

COC(=O)c1cc2cc(Oc3ccc(S(C)(=O)=O)cn3)cc(OC)c2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 5/20 0.43
▸ ABL1 P00519 2/20 0.38
▸ SRC P12931 2/20 0.38
▸ GLA P06280 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ P2RX3 P56373 1/20 0.36
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35
▸ GCK P35557 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ ADAMTS4 O75173 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
SCHEMBL1077244 0.91 KDM4E (0.43) XDHP2RX3HDAC3HDAC4HDAC1
SCHEMBL1077264 0.90 KCNH2 (0.37) XDHP2RX3HDAC3HDAC4HDAC1
SCHEMBL1677211 0.89 XDH (0.44) XDHABL1SRCP2RX3KCNH2
SCHEMBL1076441 0.87 GCK (0.39) XDHABL1SRCP2RX3GCK
SCHEMBL1075164 0.87 KCNH2 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12734166 0.85 XDH (0.44) XDHABL1SRCGLAGAA
SCHEMBL4450129 0.82 ALDH1A1 (0.35) XDHP2RX3KCNH2ADAMTS4MMP1
SCHEMBL1074472 0.82 ALDH1A1 (0.39) GLAGAAMMP2MMP13MMP14
SCHEMBL1677193 0.81 XDH (0.44) XDHABL1SRCGLAGAA
SCHEMBL1077540 0.81 ALDH1A1 (0.37) GLAGAAP2RX3GCKMMP2

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 7 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
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 806/4885ABL1 2097/4885SRC 1008/4885

“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.