SCHEMBL1677273

SCHEMBL1677273

CCC(C(=O)O)C1CN=C(c2cc3cc(Oc4ccc(S(C)(=O)=O)cc4)cc(OCc4ccccc4)c3[nH]2)S1

nearest known ligand 0.35

Predicted protein targets (top 12)

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
GHSR Q92847 1/20 0.32
PPARG P37231 3/20 0.32
PPARA Q07869 3/20 0.32
ADAMTS4 O75173 1/20 0.32
PPARD Q03181 1/20 0.31
S1PR1 P21453 1/20 0.31
PTGER1 P34995 1/20 0.31
FAAH O00519 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
SCHEMBL1677323 0.90 GCK (0.34) GCK
SCHEMBL1677505 0.89 GCK (0.32) GCKPPARA
SCHEMBL1677352 0.88 GCK (0.38) GCK
SCHEMBL1677449 0.88 GCK (0.32) GCK
SCHEMBL1677275 0.86 RORC (0.36) GCK
SCHEMBL1677260 0.85 S1PR1 (0.37) GCKPTGS2KEAP1NFE2L2GHSR
SCHEMBL1677463 0.85 GCK (0.41) GCK
SCHEMBL563654 0.84 GCK (0.40) GCK
SCHEMBL12806802 0.84 GCK (0.35) GCKPTGS2KEAP1NFE2L2PPARG
SCHEMBL1677337 0.84 GCK (0.35) GCKPTGS2KEAP1NFE2L2GHSR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.