SCHEMBL564671

SCHEMBL564671

CS(=O)(=O)Cc1ccc(OS(=O)(=O)c2ccccc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
MAOB P27338 2/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 3/20 0.40
ALPL P05186 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
ALPI P09923 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL564269 0.82 TDP1 (0.49) TDP1L3MBTL1GAAMAPK1MAOB
SCHEMBL8559907 0.82 TDP1 (0.49) TDP1L3MBTL1GAAMAPK1MAOB
SCHEMBL6813857 0.81 TDP1 (0.44) TDP1L3MBTL1GAAMAPK1MAOB
SCHEMBL27702178 0.80 TDP1 (0.46) TDP1L3MBTL1GAAMAPK1MAOB
SCHEMBL8564373 0.77 TDP1 (0.53) TDP1L3MBTL1GAAMAPK1MAOB
SCHEMBL7263592 0.75 TDP1 (0.41) TDP1MAPTALDH1A1SMN1; SMN2ALPI
SCHEMBL5259969 0.73 SCN9A (0.40) TDP1L3MBTL1GAAMAPK1MAOB
SCHEMBL6814536 0.72 TDP1 (0.50) TDP1L3MBTL1GAAMAPK1MAOB
SCHEMBL27702182 0.71 TDP1 (0.46) TDP1L3MBTL1GAAMAPK1MAOB
SCHEMBL10678544 0.71 KMT2A (0.47) GAAMAPTALDH1A1HTTMEN1

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 TDP1 3718/4885L3MBTL1 3702/4885GAA 57/4885

“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.