SCHEMBL3336049

SCHEMBL3336049

CCc1ccc(NC(=O)N2C(=O)[C@H](CCCNC(=N)N)[C@H]2C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 9/20 0.54
TPSD1 Q9BZJ3 9/20 0.54
TPSG1 Q9NRR2 9/20 0.54
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 1/20 0.37
PLAU P00749 2/20 0.36
PRSS1 P07477 2/20 0.36
F2 P00734 1/20 0.36
PLG P00747 1/20 0.36
PLAT P00750 1/20 0.36
KLKB1 P03952 1/20 0.36
STAT1 P42224 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL4696461 1.00 TPSAB1 (0.54) TPSAB1TPSD1TPSG1RAB9ANPC1
SCHEMBL3335469 0.89 TPSAB1 (0.68) TPSAB1TPSD1TPSG1PLAUPRSS1
SCHEMBL3332397 0.89 TPSAB1 (0.68) TPSAB1TPSD1TPSG1PLAUPRSS1
SCHEMBL3333102 0.89 TPSAB1 (0.53) TPSAB1TPSD1TPSG1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7355521 0.80 TPSAB1 (0.54) TPSAB1TPSD1TPSG1LMNAALDH1A1
Hydrochloric Acid SCHEMBL7355532 0.80 TPSAB1 (0.54) TPSAB1TPSD1TPSG1LMNAALDH1A1
SCHEMBL3333866 0.78 TPSAB1 (0.56) TPSAB1TPSD1TPSG1NPC1KMT2A
SCHEMBL4697341 0.78 TPSAB1 (0.58) TPSAB1TPSD1TPSG1
SCHEMBL4697345 0.78 TPSAB1 (0.58) TPSAB1TPSD1TPSG1
SCHEMBL8257538 0.78 TPSAB1 (0.68) TPSAB1TPSD1TPSG1PLAUPRSS1

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.