SCHEMBL564276

SCHEMBL564276

CCOC(=O)c1cc2cc(Oc3ccc(S(C)(=O)=O)nc3)cc(CC)c2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
NPC1 O15118 3/20 0.43
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 1/20 0.43
MMP13 P45452 7/20 0.40
MMP2 P08253 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
MMP14 P50281 3/20 0.39
HSD17B10 Q99714 1/20 0.38
ALOX15 P16050 1/20 0.37

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
SCHEMBL564458 0.91 RAB9A (0.44) RAB9AKDM4EALDH1A1HPGDNPC1
SCHEMBL563982 0.89 KMT2A (0.38) KDM4EALDH1A1HPGDLMNAKMT2A
SCHEMBL564696 0.88 GCK (0.36) GCK
SCHEMBL1074681 0.88 KDM4E (0.41) RAB9AKDM4EALDH1A1HPGDNPC1
SCHEMBL563631 0.85 GCK (0.34) GCK
SCHEMBL564842 0.85 KDM4E (0.60) RAB9AKDM4EALDH1A1HPGDNPC1
SCHEMBL1677379 0.83 XDH (0.42) RAB9AKDM4EALDH1A1HPGDNPC1
SCHEMBL1074706 0.81 GCK (0.38) RAB9AKDM4EALDH1A1HPGDNPC1
SCHEMBL564829 0.81 KDM4E (0.38) RAB9AKDM4EALDH1A1HPGDNPC1
SCHEMBL1076960 0.80 GCK (0.36) RAB9AKDM4EALDH1A1HPGDNPC1

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 RAB9A 2338/4885KDM4E 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.