SCHEMBL3336069

SCHEMBL3336069

N=C(N)NC(=N)C[C@H]1C(=O)N(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 5/20 0.45
TPSD1 Q9BZJ3 5/20 0.45
TPSG1 Q9NRR2 5/20 0.45
ALDH1A1 P00352 6/20 0.39
CHRM3 P20309 5/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.36
ATM Q13315 1/20 0.35

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
SCHEMBL3336566 1.00 TPSAB1 (0.45) TPSAB1TPSD1TPSG1ALDH1A1CHRM3
SCHEMBL4696810 0.87 FOLH1 (0.41) TPSAB1TPSD1TPSG1ALDH1A1CHRM3
SCHEMBL3333598 0.79 TPSAB1 (0.51) TPSAB1TPSD1TPSG1ALDH1A1MEN1
SCHEMBL4697607 0.77 TPSAB1 (0.48) TPSAB1TPSD1TPSG1ALDH1A1NPSR1
SCHEMBL3335635 0.76 TPSAB1 (0.41) TPSAB1TPSD1TPSG1
SCHEMBL3336619 0.75 TPSAB1 (0.48) TPSAB1TPSD1TPSG1ALDH1A1MEN1
SCHEMBL4696831 0.68 TPSAB1 (0.39) TPSAB1TPSD1TPSG1ALDH1A1LMNA
SCHEMBL3338358 0.68 CMA1 (0.40) ALDH1A1MEN1KMT2A
SCHEMBL3330783 0.67 TPSAB1 (0.39) TPSAB1TPSD1TPSG1
SCHEMBL3336596 0.66 F11 (0.41) TPSAB1TPSD1TPSG1

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 6 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
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
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 TPSAB1 14/4885TPSD1 24/4885TPSG1 30/4885
US-20100144698-A1 SUBSTITUTED AZETIDINONES F2R, CPA3, CFD TPSAB1 14/4885TPSD1 24/4885TPSG1 30/4885
US-20090143351-A1 SUBSTITUTED AZETIDINONES F2R, CPA3, CFD TPSAB1 14/4885TPSD1 24/4885TPSG1 30/4885

“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.