SCHEMBL3333854

SCHEMBL3333854

C[C@@H](NC(=O)N1C(=O)[C@H](CCCNC(=N)N)[C@H]1C(=O)O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 8/20 0.48
TPSD1 Q9BZJ3 8/20 0.48
TPSG1 Q9NRR2 8/20 0.48
EPHX2 P34913 2/20 0.40
CMA1 P23946 1/20 0.39
POLB P06746 1/20 0.38
CASR P41180 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
SCHEMBL3336687 1.00 TPSAB1 (0.48) TPSAB1TPSD1TPSG1EPHX2CMA1
SCHEMBL3336730 0.87 EPHX2 (0.47) TPSAB1TPSD1TPSG1EPHX2
SCHEMBL3330725 0.87 EPHX2 (0.47) TPSAB1TPSD1TPSG1EPHX2
SCHEMBL3332397 0.82 TPSAB1 (0.68) TPSAB1TPSD1TPSG1
SCHEMBL3335469 0.82 TPSAB1 (0.68) TPSAB1TPSD1TPSG1
SCHEMBL3335621 0.82 TPSAB1 (0.41) TPSAB1TPSD1TPSG1EPHX2CMA1
SCHEMBL3335635 0.82 TPSAB1 (0.41) TPSAB1TPSD1TPSG1CMA1
SCHEMBL4697341 0.81 TPSAB1 (0.58) TPSAB1TPSD1TPSG1EPHX2
SCHEMBL4697345 0.81 TPSAB1 (0.58) TPSAB1TPSD1TPSG1EPHX2
SCHEMBL7443391 0.78 ELANE (0.49) 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 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 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.