SCHEMBL1075818

SCHEMBL1075818

COc1cc(Oc2ccc(S(C)(=O)=O)nc2)cc2cc(C(N)=S)[nH]c12

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 10/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RAD52 P43351 1/20 0.33
▸ HRH4 Q9H3N8 2/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ CHEK2 O96017 1/20 0.32
▸ DRD2 P14416 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ XDH P47989 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
SCHEMBL1076711 0.91 CHEK2 (0.36) GCKALDH1A1HPGDHRH4IDO1
SCHEMBL1075410 0.90 GCK (0.34) GCK
SCHEMBL563627 0.88 GCK (0.33) GCKXDH
SCHEMBL1075201 0.88 KDM4E (0.44) GCKALDH1A1HPGDHRH4IDO1
SCHEMBL1078187 0.87 GCK (0.34) GCK
SCHEMBL1677193 0.87 XDH (0.44) GCKIDO1XDH
SCHEMBL563631 0.86 GCK (0.34) GCK
SCHEMBL12734139 0.84 TGFBR1 (0.38) ALDH1A1HPGDRAD52HRH4IDO1
SCHEMBL1076273 0.84 GCK (0.40) GCKALDH1A1HPGDRAD52HRH4
SCHEMBL564250 0.84 GCK (0.36) 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 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
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 GCK 4/4885ALDH1A1 305/4885HPGD 1024/4885

“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.

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