SCHEMBL3339780

SCHEMBL3339780

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

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 10/20 0.60
TPSD1 Q9BZJ3 10/20 0.60
TPSG1 Q9NRR2 10/20 0.60
KDM4E B2RXH2 1/20 0.36
F13A1 P00488 1/20 0.34
TGM2 P21980 1/20 0.34
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ADAM17 P78536 1/20 0.33
KMT2A Q03164 1/20 0.33
P2RY1 P47900 1/20 0.33
FAAH O00519 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
SCHEMBL3333598 0.91 TPSAB1 (0.51) TPSAB1TPSD1TPSG1F13A1TGM2
SCHEMBL3336619 0.89 TPSAB1 (0.48) TPSAB1TPSD1TPSG1KDM4EALDH1A1
SCHEMBL3336069 0.85 TPSAB1 (0.45) TPSAB1TPSD1TPSG1ALDH1A1KMT2A
SCHEMBL3336566 0.85 TPSAB1 (0.45) TPSAB1TPSD1TPSG1ALDH1A1KMT2A
SCHEMBL4697607 0.82 TPSAB1 (0.48) TPSAB1TPSD1TPSG1ALDH1A1MAPT
SCHEMBL3335635 0.81 TPSAB1 (0.41) TPSAB1TPSD1TPSG1
SCHEMBL3335469 0.80 TPSAB1 (0.68) TPSAB1TPSD1TPSG1KDM4E
SCHEMBL3332397 0.80 TPSAB1 (0.68) TPSAB1TPSD1TPSG1KDM4E
SCHEMBL3339769 0.73 TPSAB1 (0.59) TPSAB1TPSD1TPSG1ALDH1A1P2RY1
SCHEMBL8257538 0.73 TPSAB1 (0.68) TPSAB1TPSD1TPSG1KDM4E

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.