SCHEMBL1677830

SCHEMBL1677830

CCOC(=O)c1cc2cc(Oc3ccc(S(C)(=O)=O)nc3)c(F)c(OS(C)(=O)=O)c2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 13/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MMP2 P08253 2/20 0.36
MMP13 P45452 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
MMP14 P50281 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL12807192 0.84 GCK (0.39) GCK
SCHEMBL1074681 0.84 KDM4E (0.41) GCKKDM4EALDH1A1HPGDRAB9A
SCHEMBL13665677 0.81 GCK (0.36) GCK
SCHEMBL12734257 0.80 GCK (0.38) GCKLMNAL3MBTL1MEN1KMT2A
SCHEMBL564458 0.80 RAB9A (0.44) GCKKDM4EALDH1A1HPGDRAB9A
SCHEMBL564276 0.79 RAB9A (0.43) GCKKDM4EALDH1A1HPGDRAB9A
SCHEMBL1076928 0.78 GCK (0.38) GCKKDM4EALDH1A1HPGDLMNA
SCHEMBL12734256 0.78 GCK (0.36) GCK
SCHEMBL1677140 0.77 GCK (0.40) GCKKDM4EALDH1A1HPGDLMNA
SCHEMBL1677262 0.76 GCK (0.38) GCKBRD4

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-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

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 4/4885KDM4E 914/4885ALDH1A1 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.