SCHEMBL5956523

SCHEMBL5956523

Cc1c(C(=O)O)ccc2c1SCCC2NC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
KDM1A O60341 1/20 0.35
MAOB P27338 1/20 0.35
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
KMT2A Q03164 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 2/20 0.34
BTK Q06187 1/20 0.34
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 1/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 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
SCHEMBL5956517 1.00 GAA (0.36) GAAKDM1AMAOBNFKB1NFKB2
SCHEMBL5956763 0.90 MEN1 (0.40) GAAKDM1AMAOBNFKB1NFKB2
SCHEMBL5956756 0.90 MEN1 (0.40) GAAKDM1AMAOBNFKB1NFKB2
SCHEMBL5956593 0.83 TYK2 (0.37) L3MBTL1
SCHEMBL5956534 0.83 TYK2 (0.37) L3MBTL1
SCHEMBL8181233 0.80 ADAMTS4 (0.39) GAAKDM1AMAOBNFKB1NFKB2
SCHEMBL5956608 0.78 NFKB1 (0.38) GAAKDM1AMAOBNFKB1NFKB2
SCHEMBL5956613 0.78 NFKB1 (0.38) GAAKDM1AMAOBNFKB1NFKB2
SCHEMBL5956729 0.77 KMT2A (0.47) NFKB1NFKB2RELAKMT2AMEN1
SCHEMBL5956738 0.77 KMT2A (0.47) NFKB1NFKB2RELAKMT2AMEN1

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 1515/4885KDM1A 1618/4885MAOB 904/4885

“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.