SCHEMBL1677140

SCHEMBL1677140

CS(=O)(=O)c1ccc(Oc2cc3cc(C(=O)O)[nH]c3c(O)c2F)cn1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GCK P35557 13/20 0.40
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
EIF4A3 P38919 1/20 0.37
KMT2A Q03164 1/20 0.33
BRD4 O60885 1/20 0.32

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
SCHEMBL1677262 0.91 GCK (0.38) GCKBRD4
SCHEMBL1076075 0.82 KMT2A (0.39) GCKKDM4EHPGDALDH1A1LMNA
SCHEMBL1075201 0.80 KDM4E (0.44) GCKKDM4EHPGDALDH1A1LMNA
SCHEMBL564231 0.80 KMT2A (0.39) GCKKDM4EHPGDALDH1A1LMNA
SCHEMBL1074706 0.79 GCK (0.38) GCKKDM4EHPGDALDH1A1LMNA
SCHEMBL1076928 0.79 GCK (0.38) GCKKDM4EHPGDALDH1A1LMNA
SCHEMBL563982 0.78 KMT2A (0.38) GCKKDM4EHPGDALDH1A1LMNA
SCHEMBL12734257 0.78 GCK (0.38) GCKLMNAKMT2ABRD4
SCHEMBL1677830 0.77 GCK (0.38) GCKKDM4EHPGDALDH1A1LMNA
SCHEMBL1076738 0.76 GCK (0.37) GCKKDM4EHPGDALDH1A1LMNA

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-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
US-20110098297-A1 FUSED RING COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-28 US 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 4/4885KDM4E 914/4885HPGD 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.