SCHEMBL1074472

SCHEMBL1074472

CCOC(=O)c1cc2cc(Oc3ccc(S(C)(=O)=O)cn3)cc(OS(C)(=O)=O)c2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 3/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MMP13 P45452 6/20 0.38
MMP2 P08253 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
HSD17B10 Q99714 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
PDE4B Q07343 1/20 0.35

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
SCHEMBL12734158 0.91 KDM4E (0.42) ALDH1A1KDM4EHPGDRAB9ANPC1
SCHEMBL1077540 0.89 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDRAB9ANPC1
SCHEMBL4450129 0.88 ALDH1A1 (0.35) ALDH1A1KDM4EHPGDLMNAHTT
SCHEMBL1074710 0.87 HPGD (0.45) ALDH1A1KDM4EHPGDRAB9ANPC1
SCHEMBL563948 0.84 GCK (0.37) ALDH1A1KDM4EHPGDRAB9ANPC1
SCHEMBL1074681 0.83 KDM4E (0.41) ALDH1A1KDM4EHPGDRAB9ANPC1
SCHEMBL12734121 0.82 KDM4E (0.43) ALDH1A1KDM4EHPGDRAB9ANPC1
SCHEMBL1077370 0.82 XDH (0.43) ALDH1A1LMNAHTTMMP13MMP2
SCHEMBL1077244 0.79 KDM4E (0.43) ALDH1A1KDM4EHPGDLMNAHTT
SCHEMBL1077264 0.78 KCNH2 (0.37) ALDH1A1KDM4EHPGDLMNAHTT

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 4 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-20110098297-A1 FUSED RING COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-28 US disclosed
EP-2276760-A1 FUSED RING COMPOUNDS AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-01-26 EP 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 ALDH1A1 305/4885KDM4E 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.