Sugi Predict

Sugi Predict / Compounds / SCHEMBL3336261

SCHEMBL3336261

SCHEMBL3336261

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

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.37
▸ FBP1 P09467 1/20 0.36
▸ CMA1 P23946 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36

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
SCHEMBL3336264 1.00 CASP3 (0.37) CASP3FBP1CMA1KMT2AMEN1
SCHEMBL13302768 0.82 MEN1 (0.34) CASP3CMA1KMT2AMEN1
SCHEMBL3330879 0.79 CASP3 (0.34) CASP3FBP1CMA1KMT2AALDH1A1
SCHEMBL20479216 0.72 KMT2A (0.52) CMA1KMT2AMEN1ALDH1A1
SCHEMBL16989311 0.72 KMT2A (0.52) CMA1KMT2AMEN1ALDH1A1
SCHEMBL27045518 0.72 KMT2A (0.52) CMA1KMT2AMEN1ALDH1A1
SCHEMBL16989098 0.72 ALDH1A1 (0.47) CMA1KMT2AMEN1ALDH1A1
SCHEMBL16997629 0.71 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1
SCHEMBL27045119 0.71 ELANE (0.40) KMT2AHPGD
SCHEMBL16997631 0.71 FKBP1A (0.47) KMT2AMEN1ALDH1A1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144698-A1 SUBSTITUTED AZETIDINONES DAIAMED (US) 2010-06-10 — — US disclosed
US-20100144698-A1 SUBSTITUTED AZETIDINONES DAIAMED (US) 2010-06-10 — — US disclosed
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-20090143351-A1 SUBSTITUTED AZETIDINONES DAIAMED (US) 2009-06-04 — — 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-7501404-B2 Substituted azetidinones DAIMED (US) 2009-03-10 — — US disclosed
US-7501404-B2 Substituted azetidinones DAIMED (US) 2009-03-10 — — US disclosed
EP-1871741-A2 SUBSTITUTED AZETIDINONES Daiamed, Inc. (US) 2008-01-02 — — EP disclosed
US-20070105832-A1 Substituted azetidinones Cadrenal Therapeutics, Inc. 2007-05-10 — — US disclosed
US-20070105832-A1 Substituted azetidinones Cadrenal Therapeutics, Inc. 2007-05-10 — — US disclosed
US-20070105832-A1 Substituted azetidinones Cadrenal Therapeutics, Inc. 2007-05-10 — — US disclosed
WO-2006108039-A2 SUBSTITUTED AZETIDINONES DAIAMED, INC. (US) 2006-10-12 — — WO 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 1852/4885FBP1 2274/4885CMA1 12/4885
US-20100144698-A1 SUBSTITUTED AZETIDINONES F2R, CPA3, CFD CASP3 1852/4885FBP1 2274/4885CMA1 12/4885
US-20090143351-A1 SUBSTITUTED AZETIDINONES F2R, CPA3, CFD CASP3 1852/4885FBP1 2274/4885CMA1 12/4885

“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.