SCHEMBL5956610

SCHEMBL5956610

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
KDM4E B2RXH2 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PDE4B Q07343 2/20 0.33
SLC10A2 Q12908 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
BTK Q06187 1/20 0.32
KDM4D Q6B0I6 1/20 0.32
KDM1A O60341 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL5956880 1.00 GAA (0.34) GAAKDM4ENPSR1PDE4BSLC10A2
SCHEMBL5956748 0.87 NFKB1 (0.36) GAANFKB1NFKB2RELABTK
SCHEMBL5956785 0.87 NFKB1 (0.36) GAANFKB1NFKB2RELABTK
SCHEMBL5956848 0.86 NFKB1 (0.36) GAANFKB1NFKB2RELABTK
SCHEMBL5956706 0.86 NFKB1 (0.36) GAANFKB1NFKB2RELABTK
SCHEMBL5956760 0.83 KCNMA1 (0.43) KDM4ENPSR1PDE4BALDH1A1KDM4D
SCHEMBL5956573 0.83 KCNMA1 (0.43) KDM4ENPSR1PDE4BALDH1A1KDM4D
SCHEMBL5956876 0.79 NFKB1 (0.37) GAANFKB1NFKB2RELABTK
SCHEMBL5956588 0.78 KMT2A (0.36) GAAKDM4ENPSR1PDE4BNFKB1
SCHEMBL5956532 0.78 KMT2A (0.36) GAAKDM4ENPSR1PDE4BNFKB1

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 GAA 1515/4885KDM4E 1686/4885NPSR1 1834/4885

“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.