SCHEMBL5956876

SCHEMBL5956876

CC(C)(C)OC(=O)N[C@H]1CCS(=O)(=O)c2cc(C(=O)O)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
MAPT P10636 1/20 0.37
RORC P51449 1/20 0.36
GAA P10253 1/20 0.36
KDM1A O60341 1/20 0.35
MAOB P27338 1/20 0.35
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BTK Q06187 1/20 0.34
CREBBP Q92793 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
ADRA1D P25100 1/20 0.33
USP30 Q70CQ3 1/20 0.33
PDE5A O76074 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL5956785 0.83 NFKB1 (0.36) NFKB1NFKB2RELAGAAKDM1A
SCHEMBL5956748 0.83 NFKB1 (0.36) NFKB1NFKB2RELAGAAKDM1A
SCHEMBL5956706 0.80 NFKB1 (0.36) NFKB1NFKB2RELAGAAKDM1A
SCHEMBL5956848 0.80 NFKB1 (0.36) NFKB1NFKB2RELAGAAKDM1A
SCHEMBL5956651 0.79 ALDH1A1 (0.45) GAA
SCHEMBL5956610 0.79 GAA (0.34) NFKB1NFKB2RELAGAAKDM1A
SCHEMBL5956880 0.79 GAA (0.34) NFKB1NFKB2RELAGAAKDM1A
SCHEMBL803438 0.79 PDE4A (0.45) NFKB1NFKB2RELAMAPTRORC
SCHEMBL21178500 0.79 PDE4A (0.45) NFKB1NFKB2RELAMAPTRORC
SCHEMBL8225460 0.79 PDE4A (0.45) NFKB1NFKB2RELAMAPTRORC

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 NFKB1 3959/4885NFKB2 3473/4885RELA 3366/4885

“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.