SCHEMBL5956782

SCHEMBL5956782

CSc1c(C(=O)O)ccc2c1OCCC2NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
TRPV1 Q8NER1 6/20 0.34
KDM1A O60341 1/20 0.34
MAOB P27338 1/20 0.34
NFKB1 P19838 2/20 0.33
NFKB2 Q00653 2/20 0.33
RELA Q04206 2/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD17B2 P37059 1/20 0.32
BTK Q06187 1/20 0.32
BRD4 O60885 2/20 0.32
CREBBP Q92793 2/20 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
SCHEMBL5956519 1.00 GAA (0.36) GAATRPV1KDM1AMAOBNFKB1
SCHEMBL5956757 0.91 GAA (0.36) GAATRPV1KDM1AMAOBNFKB1
SCHEMBL5956845 0.91 GAA (0.36) GAATRPV1KDM1AMAOBNFKB1
SCHEMBL21189247 0.84 TRPV1 (0.40) GAATRPV1KDM1AMAOBNFKB1
SCHEMBL5956787 0.77 MEN1 (0.36) GAATRPV1KDM1AMAOBNFKB1
SCHEMBL5956611 0.77 MEN1 (0.36) GAATRPV1KDM1AMAOBNFKB1
SCHEMBL19973535 0.76 GAA (0.38) GAAKDM1AMAOBNFKB1NFKB2
SCHEMBL19973533 0.76 GAA (0.38) GAAKDM1AMAOBNFKB1NFKB2
SCHEMBL27504227 0.75 MAP3K14 (0.36) KMT2A
SCHEMBL7994484 0.75 TSHR (0.39)

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 1515/4885TRPV1 3576/4885KDM1A 1618/4885

“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.