SCHEMBL3333842

SCHEMBL3333842

N/C(=N/C(=O)CCc1ccccc1)N(CCC[C@H]1C(=O)N[C@@H]1C(=O)O)C(=O)CCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.36
KMT2A Q03164 3/20 0.32
HRH2 P25021 2/20 0.32
F2 P00734 2/20 0.31
PLG P00747 2/20 0.31
PRSS1 P07477 2/20 0.31
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
PLAT P00750 1/20 0.31
MEN1 O00255 2/20 0.31
HTT P42858 1/20 0.31
TPSAB1 Q15661 1/20 0.30
TPSD1 Q9BZJ3 1/20 0.30
TPSG1 Q9NRR2 1/20 0.30
MC5R P33032 1/20 0.30

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
SCHEMBL3336658 1.00 ALOX5 (0.36) ALOX5KMT2AHRH2F2PLG
SCHEMBL4697600 0.77 ALOX5 (0.32) ALOX5
SCHEMBL3337061 0.77 TPSAB1 (0.56) ALOX5PRSS1HTTTPSAB1TPSD1
SCHEMBL3336645 0.75 HPGD (0.40) KMT2AL3MBTL1MEN1
SCHEMBL10345824 0.64 CTRB1 (0.40)
SCHEMBL5429609 0.63 KEAP1 (0.55) L3MBTL1HTT
SCHEMBL5430592 0.62 HDAC2 (0.53) HRH2HRH4HRH3HTT
SCHEMBL10854943 0.60 ALDH1A1 (0.45) KMT2AL3MBTL1MEN1
SCHEMBL27709640 0.58 ALDH1A1 (0.46) KMT2AL3MBTL1HTT
SCHEMBL14219241 0.57 ALDH1A1 (0.56) ALOX5KMT2AL3MBTL1MEN1HTT

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 ALOX5 742/4885KMT2A 1432/4885HRH2 122/4885
US-20100144698-A1 SUBSTITUTED AZETIDINONES F2R, CPA3, CFD ALOX5 742/4885KMT2A 1432/4885HRH2 122/4885
US-20090143351-A1 SUBSTITUTED AZETIDINONES F2R, CPA3, CFD ALOX5 742/4885KMT2A 1432/4885HRH2 122/4885

“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.