SCHEMBL3336619

SCHEMBL3336619

COC(=O)[C@@H]1[C@@H](CC(=N)NC(=N)N)C(=O)N1C(=O)Nc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 4/20 0.48
TPSD1 Q9BZJ3 4/20 0.48
TPSG1 Q9NRR2 4/20 0.48
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPK1 P28482 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 3/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 3/20 0.33
HPGD P15428 2/20 0.33
ADAM17 P78536 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
P2RY1 P47900 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
SCHEMBL4696831 0.84 TPSAB1 (0.39) TPSAB1TPSD1TPSG1ALDH1A1GAA
SCHEMBL3338358 0.84 CMA1 (0.40) ALDH1A1KMT2AMEN1KDM4E
SCHEMBL3333598 0.82 TPSAB1 (0.51) TPSAB1TPSD1TPSG1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL7355521 0.81 TPSAB1 (0.54) TPSAB1TPSD1TPSG1ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL7355532 0.81 TPSAB1 (0.54) TPSAB1TPSD1TPSG1ALDH1A1CYP1A2
SCHEMBL4696810 0.75 FOLH1 (0.41) TPSAB1TPSD1TPSG1ALDH1A1
SCHEMBL3336069 0.75 TPSAB1 (0.45) TPSAB1TPSD1TPSG1ALDH1A1KMT2A
SCHEMBL3336566 0.75 TPSAB1 (0.45) TPSAB1TPSD1TPSG1ALDH1A1KMT2A
SCHEMBL3335635 0.74 TPSAB1 (0.41) TPSAB1TPSD1TPSG1
SCHEMBL4697607 0.72 TPSAB1 (0.48) TPSAB1TPSD1TPSG1ALDH1A1CYP1A2

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.