SCHEMBL3337090

SCHEMBL3337090

O=C(O)C1CC(=O)N1C(=O)Nc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 6/20 0.68
ITGA5 P08648 5/20 0.68
ITGA4 P13612 3/20 0.68
ITGB3 P05106 2/20 0.68
ITGAV P06756 2/20 0.68
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
TPSAB1 Q15661 1/20 0.45
TPSD1 Q9BZJ3 1/20 0.45
TPSG1 Q9NRR2 1/20 0.45
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
GRIN2B Q13224 1/20 0.42

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
SCHEMBL26128267 0.83 ITGB1 (0.86) ITGB1ITGA5ITGA4ITGB3ITGAV
SCHEMBL26128274 0.83 ITGB1 (0.86) ITGB1ITGA5ITGA4ITGB3ITGAV
SCHEMBL26555008 0.81 ITGB1 (1.00) ITGB1ITGA5ITGA4ITGB3ITGAV
SCHEMBL27043387 0.77 ITGB1 (0.56) ITGB1ITGA5ITGA4ITGB3ITGAV
SCHEMBL27046057 0.77 ITGB1 (0.56) ITGB1ITGA5ITGA4ITGB3ITGAV
Trifluoroacetic Acid SCHEMBL26127989 0.77 ITGB1 (1.00) ITGB1ITGA5ITGA4ITGB3ITGAV
Trifluoroacetic Acid SCHEMBL26127994 0.77 ITGB1 (1.00) ITGB1ITGA5ITGA4ITGB3ITGAV
SCHEMBL27047850 0.75 ITGB1 (0.56) ITGB1ITGA5ITGA4ITGB3ITGAV
SCHEMBL30229768 0.75 ITGB1 (0.56) ITGB1ITGA5ITGA4ITGB3ITGAV
SCHEMBL27047862 0.75 ITGB1 (0.56) ITGB1ITGA5ITGA4ITGB3ITGAV

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 7 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
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 ITGB1 2797/4885ITGA5 1953/4885ITGA4 2410/4885
US-20100144698-A1 SUBSTITUTED AZETIDINONES F2R, CPA3, CFD ITGB1 2797/4885ITGA5 1953/4885ITGA4 2410/4885
US-20090143351-A1 SUBSTITUTED AZETIDINONES F2R, CPA3, CFD ITGB1 2797/4885ITGA5 1953/4885ITGA4 2410/4885

“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.