SCHEMBL1677337

SCHEMBL1677337

CS(=O)(=O)c1ccc(Oc2cc(OCc3ccccc3)c3[nH]c(C4=NCC(CC(N)=O)S4)cc3c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCK P35557 7/20 0.35
PTGS2 P35354 1/20 0.34
KEAP1 Q14145 2/20 0.33
NFE2L2 Q16236 2/20 0.33
S1PR1 P21453 1/20 0.33
GHSR Q92847 1/20 0.33
PTGER1 P34995 1/20 0.32
FAAH O00519 1/20 0.32
FFAR1 O14842 1/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP12 P39900 1/20 0.31
MMP13 P45452 1/20 0.31
MMP14 P50281 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
SCHEMBL1677260 0.94 S1PR1 (0.37) GCKPTGS2KEAP1NFE2L2S1PR1
SCHEMBL12806802 0.91 GCK (0.35) GCKPTGS2KEAP1NFE2L2S1PR1
SCHEMBL12734269 0.91 MEN1 (0.34) PTGER1FFAR1
SCHEMBL1677220 0.90 GCK (0.35) GCKPTGS2KEAP1NFE2L2S1PR1
SCHEMBL1677181 0.89 GCK (0.34) GCKMMP1MMP2
SCHEMBL1677467 0.88 GCK (0.31) GCK
SCHEMBL1677285 0.87 MEN1 (0.33) GCK
SCHEMBL12734268 0.85 FFAR1 (0.35) KEAP1NFE2L2PTGER1FFAR1
SCHEMBL15516527 0.84 GCK (0.39) GCK
SCHEMBL1677273 0.84 GCK (0.35) GCKPTGS2KEAP1NFE2L2S1PR1

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 3 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

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 4/4885PTGS2 1864/4885KEAP1 307/4885

“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.