SCHEMBL4286399

SCHEMBL4286399

COC(=O)c1ccc(I)cc1S

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
PDK2 Q15119 1/20 0.46
PDK4 Q16654 1/20 0.46
KDM4E B2RXH2 8/20 0.43
GAA P10253 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 4/20 0.43
GLA P06280 2/20 0.43
ATM Q13315 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
CFTR P13569 3/20 0.42
ABL1 P00519 1/20 0.42

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
SCHEMBL20802868 0.85 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL15326189 0.82 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL31585831 0.82 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL17080159 0.79 KDM4E (0.62) CA12CA1CA2CA7CA9
SCHEMBL804379 0.79 NR4A2 (0.50) CA12CA1CA2CA7CA9
SCHEMBL256715 0.79 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL2351916 0.79 KDM4E (0.49) CA12CA1CA2CA7CA9
SCHEMBL29993089 0.79 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL539583 0.78 CA1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL4096600 0.78 SLC6A4 (0.47) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117106192-A Three-dimensional pi conjugated metal organic framework material, preparation method thereof and application thereof in photocatalytic carbon dioxide reduction 广东工业大学 2023-11-24 CN disclosed
CN-110156714-B Preparation method of iodosulfuron-methyl sodium intermediate 江苏省农用激素工程技术研究中心有限公司 2020-10-30 CN 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
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 CA12 1710/4885CA1 1682/4885CA2 819/4885

“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.