SCHEMBL564651

SCHEMBL564651

CS(=O)(=O)c1ccc(Oc2ccc3[nH]c(C(=O)O)cc3c2)cn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
SRD5A2 P31213 1/20 0.49
XDH P47989 1/20 0.49
FLT3 P36888 1/20 0.47
PIN1 Q13526 1/20 0.46
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
LGALS8 O00214 7/20 0.44
SMAD3 P84022 1/20 0.44
LGALS3 P17931 5/20 0.43
TSHR P16473 2/20 0.43
F7 P08709 1/20 0.43
F3 P13726 1/20 0.43
PLA2G4A P47712 1/20 0.43

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
SCHEMBL564765 0.90 KMT2A (0.46) KMT2AXDHFLT3PDGFRBPDGFRA
SCHEMBL564364 0.86 KMT2A (0.43) KMT2AXDHFLT3PDGFRBPDGFRA
SCHEMBL564842 0.86 KDM4E (0.60) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL564231 0.83 KMT2A (0.39) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1076075 0.83 KMT2A (0.39) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL563982 0.81 KMT2A (0.38) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1075201 0.81 KDM4E (0.44) KMT2AKDM4EALDH1A1HPGDSRD5A2
SCHEMBL1074706 0.80 GCK (0.38) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1677140 0.76 GCK (0.40) KMT2AKDM4EALDH1A1HPGDLMNA
SCHEMBL563828 0.76 GCK (0.39) KMT2A

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-8557805-B2 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-15 US disclosed
US-20120035163-A1 NOVEL FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-02-09 US disclosed
EP-2371826-A1 NOVEL FUSED RING COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-10-05 EP 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-20120035163-A1 NOVEL FUSED RING COMPOUND AND USE THEREOF GPR119, GCKR, SLC5A1 KMT2A 1470/4885KDM4E 1414/4885ALDH1A1 351/4885

“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.