SCHEMBL3339769

SCHEMBL3339769

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

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 10/20 0.59
TPSD1 Q9BZJ3 10/20 0.59
TPSG1 Q9NRR2 10/20 0.59
P2RY1 P47900 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CASP3 P42574 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
SCHEMBL3333593 0.91 TPSAB1 (0.50) TPSAB1TPSD1TPSG1ALDH1A1
SCHEMBL3335621 0.82 TPSAB1 (0.41) TPSAB1TPSD1TPSG1CASP3
SCHEMBL3332397 0.80 TPSAB1 (0.68) TPSAB1TPSD1TPSG1
SCHEMBL3335469 0.80 TPSAB1 (0.68) TPSAB1TPSD1TPSG1
SCHEMBL8257538 0.76 TPSAB1 (0.68) TPSAB1TPSD1TPSG1
SCHEMBL3339780 0.73 TPSAB1 (0.60) TPSAB1TPSD1TPSG1P2RY1ALDH1A1
SCHEMBL3334212 0.72 CMA1 (0.38) TPSAB1TPSD1TPSG1CASP3
SCHEMBL3335307 0.70 TPSAB1 (0.54) TPSAB1TPSD1TPSG1P2RY1ALDH1A1
SCHEMBL4696461 0.70 TPSAB1 (0.54) TPSAB1TPSD1TPSG1ALDH1A1
Hydrochloric Acid SCHEMBL7355532 0.70 TPSAB1 (0.54) TPSAB1TPSD1TPSG1ALDH1A1

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.