SCHEMBL4295316

SCHEMBL4295316

COC(=O)c1ccc(I)cc1OC(=S)N(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
PDK2 Q15119 1/20 0.37
PDK4 Q16654 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 5/20 0.36
GAA P10253 3/20 0.36
GLA P06280 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
ATM Q13315 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL31363216 0.89 HSD17B10 (0.37) L3MBTL1CA12CA1CA2CA7
SCHEMBL20803212 0.89 HSD17B10 (0.37) L3MBTL1CA12CA1CA2CA7
SCHEMBL10333314 0.84 MAPT (0.44) L3MBTL1CA12CA1CA2CA7
SCHEMBL10852579 0.83 KMT2A (0.48) L3MBTL1ALDH1A1KDM4EGAAGLA
SCHEMBL2963304 0.83 FFAR4 (0.46) L3MBTL1CA12CA1CA2CA7
SCHEMBL2471344 0.83 NR4A2 (0.43) L3MBTL1CA12CA1CA2CA7
SCHEMBL2473180 0.83 ABL1 (0.51) L3MBTL1SLC6A3ALDH1A1MAPTHPGD
SCHEMBL31325341 0.80 KDM4E (0.47) CA12CA1CA2CA7CA9
SCHEMBL7759388 0.79 SLC6A3 (0.59) L3MBTL1SLC6A3ALDH1A1KDM4EGAA
SCHEMBL9814755 0.79 TDP1 (0.49) ALDH1A1KDM4EGAAGLAMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
EP-1971596-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS Takeda Pharmaceutical Company Limited (JP) 2008-09-24 EP disclosed
WO-2007077961-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-12 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-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands NR3C2, NR3C1, MC2R L3MBTL1 3127/4885CA12 1710/4885CA1 1682/4885

“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.