SCHEMBL5956729

SCHEMBL5956729

CC(C)(C)OC(=O)N[C@H]1CCSc2cc(C(=O)O)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 1/20 0.47
TDP1 Q9NUW8 2/20 0.44
POLB P06746 2/20 0.41
PSMD14 O00487 1/20 0.41
USP2 O75604 1/20 0.41
PLA2G1B P04054 1/20 0.41
ALPL P05186 1/20 0.41
MMP2 P08253 1/20 0.41
ALPI P09923 1/20 0.41
ALPG P10696 1/20 0.41
PTPN7 P35236 1/20 0.41
DUSP3 P51452 1/20 0.41
BLM P54132 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39

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
SCHEMBL5956738 1.00 KMT2A (0.47) KMT2AMEN1TDP1POLBPSMD14
SCHEMBL5956531 0.89 KMT2A (0.55) KMT2AMEN1TDP1POLBPSMD14
SCHEMBL5956524 0.89 KMT2A (0.55) KMT2AMEN1TDP1POLBPSMD14
SCHEMBL5956608 0.82 NFKB1 (0.38) KMT2AMEN1TDP1POLBNPC1
SCHEMBL5956613 0.82 NFKB1 (0.38) KMT2AMEN1TDP1POLBNPC1
SCHEMBL5956678 0.82 NAMPT (0.43) KMT2AMEN1TDP1POLBNPC1
SCHEMBL5956667 0.82 NAMPT (0.43) KMT2AMEN1TDP1POLBNPC1
SCHEMBL8225460 0.81 PDE4A (0.45) KMT2AMEN1NFKB1NFKB2RELA
SCHEMBL21178500 0.81 PDE4A (0.45) KMT2AMEN1NFKB1NFKB2RELA
SCHEMBL484634 0.81 PDE4A (0.45) NFKB1NFKB2RELA

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 KMT2A 1253/4885MEN1 2543/4885TDP1 2986/4885

“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.