SCHEMBL3330879

SCHEMBL3330879

COC(=O)[C@H]1N(C(=O)N[C@H](C)c2ccccc2)C(=O)[C@]1(C)CC(=N)NC(=N)N

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.34
CMA1 P23946 1/20 0.34
KMT2A Q03164 2/20 0.34
FBP1 P09467 1/20 0.34
GAA P10253 1/20 0.34
PARP1 P09874 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL3332770 0.91 CASP3 (0.36) CASP3KMT2AFBP1
SCHEMBL13302768 0.82 MEN1 (0.34) CASP3CMA1KMT2A
SCHEMBL3336261 0.79 CASP3 (0.37) CASP3CMA1KMT2AFBP1ALDH1A1
SCHEMBL3338358 0.77 CMA1 (0.40) CMA1KMT2APARP1ALDH1A1
SCHEMBL3335635 0.71 TPSAB1 (0.41) CASP3CMA1FBP1
SCHEMBL27045518 0.70 KMT2A (0.52) CMA1KMT2AGAAALDH1A1
SCHEMBL16989311 0.70 KMT2A (0.52) CMA1KMT2AGAAALDH1A1
SCHEMBL20479216 0.70 KMT2A (0.52) CMA1KMT2AGAAALDH1A1
SCHEMBL16989098 0.70 ALDH1A1 (0.47) CMA1KMT2AGAAALDH1A1
SCHEMBL3330810 0.70 ATM (0.41) CMA1KMT2AGAAALDH1A1

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
US-20100144698-A1 SUBSTITUTED AZETIDINONES DAIAMED (US) 2010-06-10 US disclosed
US-20090143351-A1 SUBSTITUTED AZETIDINONES DAIAMED (US) 2009-06-04 US disclosed
US-7501404-B2 Substituted azetidinones DAIMED (US) 2009-03-10 US disclosed
US-20070105832-A1 Substituted azetidinones Cadrenal Therapeutics, Inc. 2007-05-10 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 (3 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-20070105832-A1 Substituted azetidinones F2R, CPA3, CFD CASP3 1852/4885CMA1 12/4885KMT2A 1432/4885
US-20100144698-A1 SUBSTITUTED AZETIDINONES F2R, CPA3, CFD CASP3 1852/4885CMA1 12/4885KMT2A 1432/4885
US-20090143351-A1 SUBSTITUTED AZETIDINONES F2R, CPA3, CFD CASP3 1852/4885CMA1 12/4885KMT2A 1432/4885

“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.