SCHEMBL564231

SCHEMBL564231

Cc1cc(Oc2ccc(S(C)(=O)=O)nc2)cc2cc(C(=O)O)[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
SYK P43405 1/20 0.37
GCK P35557 10/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35
XDH P47989 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
SRD5A2 P31213 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PIN1 Q13526 1/20 0.33

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
SCHEMBL564574 0.90 SYK (0.38) SYKGCKXDH
SCHEMBL1076075 0.89 KMT2A (0.39) KMT2AGCKKDM4EALDH1A1HPGD
SCHEMBL564458 0.88 RAB9A (0.44) KMT2AGCKKDM4EALDH1A1HPGD
SCHEMBL1075201 0.87 KDM4E (0.44) KMT2AGCKKDM4EALDH1A1HPGD
SCHEMBL563982 0.87 KMT2A (0.38) KMT2AGCKKDM4EALDH1A1HPGD
SCHEMBL563627 0.87 GCK (0.33) GCKXDHCYP1A2CYP2C9
SCHEMBL1074706 0.85 GCK (0.38) KMT2AGCKKDM4EALDH1A1HPGD
SCHEMBL564651 0.83 KMT2A (0.60) KMT2AKDM4EALDH1A1HPGDLMNA
SCHEMBL12734229 0.81 XDH (0.41) KMT2AGCKKDM4EALDH1A1HPGD
SCHEMBL1076738 0.81 GCK (0.37) KMT2AGCKKDM4EALDH1A1HPGD

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 1470/4885SYK 1694/4885GCK 5/4885

“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.