SCHEMBL3333593

SCHEMBL3333593

N=NC(=N)NCC[C@H]1C(=O)N(C(=O)Nc2ccc(Oc3ccccc3)cc2)[C@@H]1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 5/20 0.50
TPSD1 Q9BZJ3 5/20 0.50
TPSG1 Q9NRR2 5/20 0.50
RNF4 P78317 1/20 0.40
CHRM4 P08173 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PGR P06401 1/20 0.36
CRHBP P24387 1/20 0.36
RAB9A P51151 1/20 0.36
CRHR2 Q13324 1/20 0.36
F13A1 P00488 1/20 0.36

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
SCHEMBL3339769 0.91 TPSAB1 (0.59) TPSAB1TPSD1TPSG1ALDH1A1
SCHEMBL3333598 0.77 TPSAB1 (0.51) TPSAB1TPSD1TPSG1RNF4ALDH1A1
SCHEMBL3335621 0.77 TPSAB1 (0.41) TPSAB1TPSD1TPSG1
SCHEMBL3335469 0.72 TPSAB1 (0.68) TPSAB1TPSD1TPSG1
SCHEMBL8257538 0.68 TPSAB1 (0.68) TPSAB1TPSD1TPSG1
SCHEMBL3334212 0.67 CMA1 (0.38) TPSAB1TPSD1TPSG1
SCHEMBL4696461 0.67 TPSAB1 (0.54) TPSAB1TPSD1TPSG1ALDH1A1KMT2A
SCHEMBL3339780 0.66 TPSAB1 (0.60) TPSAB1TPSD1TPSG1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL7355532 0.65 TPSAB1 (0.54) TPSAB1TPSD1TPSG1ALDH1A1LMNA
SCHEMBL3335307 0.63 TPSAB1 (0.54) TPSAB1TPSD1TPSG1ALDH1A1KMT2A

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.