SCHEMBL9609059

SCHEMBL9609059

CC(C)(C)OC(=O)N[C@H]1C=CCC2CC[C@@H](C(=O)OCc3ccccc3)N2C1=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FKBP1A P62942 8/20 0.42
CTSL P07711 1/20 0.41
CASP1 P29466 2/20 0.41
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
TSHR P16473 1/20 0.38
CYP1A2 P05177 1/20 0.38
XIAP P98170 1/20 0.37
SYK P43405 1/20 0.37

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
SCHEMBL3724400 1.00 KMT2A (0.43) KMT2AL3MBTL1FKBP1ACTSLCASP1
SCHEMBL19199495 0.88 CASP1 (0.47) KMT2AL3MBTL1FKBP1ACTSLCASP1
SCHEMBL19194321 0.88 CASP1 (0.47) KMT2AL3MBTL1FKBP1ACTSLCASP1
SCHEMBL1299623 0.88 CASP1 (0.47) KMT2AL3MBTL1FKBP1ACTSLCASP1
SCHEMBL1299624 0.88 CASP1 (0.47) KMT2AL3MBTL1FKBP1ACTSLCASP1
SCHEMBL1299626 0.88 CASP1 (0.47) KMT2AL3MBTL1FKBP1ACTSLCASP1
SCHEMBL31654805 0.84 NFKB1 (0.39) KMT2AL3MBTL1FKBP1ANFKB1NFKB2
SCHEMBL31654108 0.83 NFKB1 (0.40) KMT2AL3MBTL1NFKB1NFKB2RELA
SCHEMBL12109063 0.83 FKBP1A (0.43) KMT2AL3MBTL1FKBP1ACTSLCASP1
SCHEMBL9973474 0.81 CASP1 (0.54) KMT2AL3MBTL1FKBP1ACTSLCASP1

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-2457896-A1 Tripeptides as caspase modulators Idun Pharmaceuticals, Inc. (US) 2012-05-30 EP disclosed
EP-2457895-A1 Tetrapeptide analogs Idun Pharmaceuticals, Inc. (US) 2012-05-30 EP disclosed
US-20100190688-A1 Tetrapeptide analogs IDUN PHARMACEUTICALS, INC. 2010-07-29 US disclosed
US-20100190688-A1 Tetrapeptide analogs IDUN PHARMACEUTICALS, INC. 2010-07-29 US 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-20100190688-A1 Tetrapeptide analogs TP53, PCNA, HRAS KMT2A 3553/4885L3MBTL1 99/4885FKBP1A 1684/4885

“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.