SCHEMBL4941253

SCHEMBL4941253

COc1cc2c(cc1NS(=O)(=O)CCl)OC(C)(C)[C@@](O)(CCc1ccccc1)[C]2C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 1/20 0.37
PTK2B Q14289 1/20 0.37
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
GAA P10253 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FABP4 P15090 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL4941932 0.80 GAA (0.34) ALDH1A1GAAL3MBTL1
SCHEMBL2889248 0.74 L3MBTL1 (0.34) ALDH1A1MAPK1PTK2BHPGDSMN1; SMN2
SCHEMBL2011332 0.73 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2GAA
SCHEMBL2011333 0.73 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2GAA
SCHEMBL3599142 0.70 KCNE1 (0.40) ALDH1A1MAPK1PTK2BL3MBTL1
SCHEMBL3599146 0.70 KCNE1 (0.40) ALDH1A1MAPK1PTK2BL3MBTL1
SCHEMBL12580760 0.69 ABCB1 (0.42)
SCHEMBL2875594 0.68 KCNA5 (0.42) ALDH1A1SMN1; SMN2GAA
SCHEMBL20424444 0.61 TSHR (0.52) ALDH1A1MAPK1PTK2BHPGDMEN1
SCHEMBL2010205 0.61 KCNA5 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-01-03 US 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-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents CBR1, CBR3, SCN8A ALDH1A1 2087/4885MAPK1 2627/4885PTK2B 2034/4885

“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.