SCHEMBL3337050

SCHEMBL3337050

O=C(CCc1ccccc1)/N=C(\NCCCC1C(=O)N(C(=O)Nc2ccccc2)C1C(=O)O)NC(=O)CCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 8/20 0.53
TPSD1 Q9BZJ3 8/20 0.53
TPSG1 Q9NRR2 8/20 0.53
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 2/20 0.36
EPHX1 P07099 1/20 0.36
FKBP1A P62942 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
NAMPT P43490 1/20 0.36
KMT2A Q03164 1/20 0.36
ASAH1 Q13510 1/20 0.36
HPGD P15428 1/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL3337054 1.00 TPSAB1 (0.53) TPSAB1TPSD1TPSG1MAPTHTT
SCHEMBL3337061 0.79 TPSAB1 (0.56) TPSAB1TPSD1TPSG1MAPTHTT
SCHEMBL3333835 0.77 HPGD (0.40) MAPTKDM4EKEAP1NFE2L2KMT2A
SCHEMBL3336651 0.77 HPGD (0.40) MAPTKDM4EKEAP1NFE2L2KMT2A
SCHEMBL3333847 0.77 HPGD (0.40) MAPTKDM4EKEAP1NFE2L2KMT2A
SCHEMBL3336645 0.77 HPGD (0.40) MAPTKDM4EKEAP1NFE2L2KMT2A
SCHEMBL8257538 0.75 TPSAB1 (0.68) TPSAB1TPSD1TPSG1KDM4EFKBP1A
SCHEMBL3335469 0.75 TPSAB1 (0.68) TPSAB1TPSD1TPSG1KDM4EFKBP1A
SCHEMBL3332397 0.75 TPSAB1 (0.68) TPSAB1TPSD1TPSG1KDM4EFKBP1A
SCHEMBL5670635 0.74 MAPT (0.62) MAPTHTTKDM4EKMT2AGAA

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.