SCHEMBL5956573

SCHEMBL5956573

COc1cc2c(cc1C(=O)Nc1ccncc1)S(=O)(=O)CCC2NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.43
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
JAK2 O60674 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4D Q6B0I6 2/20 0.38
PDE4A P27815 3/20 0.37
PDE4B Q07343 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL5956760 1.00 KCNMA1 (0.43) KCNMA1MAPK1SMN1; SMN2JAK2L3MBTL1
SCHEMBL5956681 0.89 NAMPT (0.38) KCNMA1MAPK1SMN1; SMN2JAK2ALDH1A1
SCHEMBL5956668 0.89 NAMPT (0.38) KCNMA1MAPK1SMN1; SMN2JAK2ALDH1A1
SCHEMBL5956660 0.89 JAK2 (0.41) KCNMA1MAPK1SMN1; SMN2JAK2MEN1
SCHEMBL5956663 0.89 JAK2 (0.41) KCNMA1MAPK1SMN1; SMN2JAK2MEN1
SCHEMBL5956880 0.83 GAA (0.34) ALDH1A1NPSR1KDM4EKDM4DPDE4B
SCHEMBL5956610 0.83 GAA (0.34) ALDH1A1NPSR1KDM4EKDM4DPDE4B
SCHEMBL5956775 0.82 KCNMA1 (0.44) KCNMA1MAPK1SMN1; SMN2JAK2L3MBTL1
SCHEMBL5956481 0.82 KCNMA1 (0.44) KCNMA1MAPK1SMN1; SMN2JAK2L3MBTL1
SCHEMBL4441648 0.81 KCNMA1 (0.49) KCNMA1MAPK1SMN1; SMN2JAK2L3MBTL1

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
EP-1270570-B1 AMIDE COMPOUNDS AND USE THEREOF MITSUBISHI PHARMA CORP (JP) 2006-05-31 EP disclosed
US-6933305-B2 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2005-08-23 US disclosed
US-20030158413-A1 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-08-21 US disclosed
EP-1270570-A1 AMIDE COMPOUNDS AND USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-01-02 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-20030158413-A1 Amide compounds and use thereof ROCK2, ROCK1, RHOT2 KCNMA1 3230/4885MAPK1 128/4885SMN1; SMN2 3300/4885

“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.