SCHEMBL3350832

SCHEMBL3350832

COc1ccc(C(CC(=O)O)NC(=O)OC(C)(C)C)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.56
KMT2A Q03164 1/20 0.51
ITGB3 P05106 5/20 0.50
ITGA2B P08514 4/20 0.50
LMNA P02545 2/20 0.50
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 1/20 0.49
TNF P01375 1/20 0.46
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.44
ITGA2 P17301 1/20 0.44
ITGAV P06756 1/20 0.44
ITGB5 P18084 1/20 0.44
ITGB6 P18564 1/20 0.44
ITGB8 P26012 1/20 0.44
CTSA P10619 3/20 0.43

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
SCHEMBL536928 0.92 SMN1; SMN2 (0.62) POLBSMN1; SMN2KMT2AITGB3ITGA2B
SCHEMBL21271453 0.89 POLB (0.49) POLBSMN1; SMN2KMT2ACTSA
SCHEMBL20139043 0.89 POLB (0.49) POLBSMN1; SMN2KMT2ACTSA
SCHEMBL2996725 0.88 POLB (0.60) POLBSMN1; SMN2KMT2ALMNAALDH1A1
SCHEMBL3355755 0.87 POLB (0.47) POLBSMN1; SMN2KMT2AITGB3ITGA2B
SCHEMBL5897049 0.84 POLB (0.54) POLBSMN1; SMN2KMT2AITGB3ITGA2B
SCHEMBL1828546 0.83 SMN1; SMN2 (0.53) POLBSMN1; SMN2KMT2ALMNAMAPK1
SCHEMBL1828543 0.83 SMN1; SMN2 (0.53) POLBSMN1; SMN2KMT2ALMNAMAPK1
SCHEMBL1147823 0.83 NPSR1 (0.51) SMN1; SMN2KMT2AITGB3ITGA2BALDH1A1
SCHEMBL7226978 0.83 NPSR1 (0.51) SMN1; SMN2KMT2AITGB3ITGA2BALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9260391-B2 Hypoglycemic dihydropyridones THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-02-16 US disclosed
EP-1529042-B1 ARYLAMIDES INTERMED DISCOVERY GMBH (DE) 2013-02-20 EP disclosed
US-20110294800-A1 HYPOGLYCEMIC DIHYDROPYRIDONES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2011-12-01 US disclosed
WO-2010016939-A1 HYPOGLYCEMIC DIHYDROPYRIDONES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2010-02-11 WO disclosed
US-20090149528-A1 Cinnamic acid amides BAYER HEALTHCARE AG (DE) 2009-06-11 US disclosed
US-20090149528-A1 Cinnamic acid amides BAYER HEALTHCARE AG (DE) 2009-06-11 US disclosed
US-7402683-B2 3-(1,3-benzodioxol-5-yl)-N-{(1S)-3-[((1S)-2-methyl-1-{[(3R,4S)-4-methyl-2,5-dioxo-3-pyrrolidinyl]carbonyl}propyl)amino]-3-oxo-1-phenylpropyl}-2-propenamide; bactericide, bacterial infection; septic infections, bone and joint infections, skin infections; veterinary medicine BAYER HEALTHCARE AG (DE) 2008-07-22 US disclosed
US-7348357-B2 bactericide; derivatives of pseudopeptide Andrimid in which beta-phenylalanine amide is replaced by heteroaromatic or substituted aromatic amide; N-{(1S)-3-[((1S)-1-{[(3R,4S)-1,4-Dimethyl-2,5-dioxo-3-pyrrolidinyl]carbonyl}-2-methylpropyl)amino]-3-oxo-1-phenylpropyl}-2-pyridinecarboxamide; antibiotics BAYER HEALTHCARE AG (DE) 2008-03-25 US disclosed
US-7348357-B2 bactericide; derivatives of pseudopeptide Andrimid in which beta-phenylalanine amide is replaced by heteroaromatic or substituted aromatic amide; N-{(1S)-3-[((1S)-1-{[(3R,4S)-1,4-Dimethyl-2,5-dioxo-3-pyrrolidinyl]carbonyl}-2-methylpropyl)amino]-3-oxo-1-phenylpropyl}-2-pyridinecarboxamide; antibiotics BAYER HEALTHCARE AG (DE) 2008-03-25 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 (2 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-20110294800-A1 HYPOGLYCEMIC DIHYDROPYRIDONES SLC5A1, SLC5A2, G6PC1 POLB 4422/4885SMN1; SMN2 1620/4885KMT2A 1689/4885
US-20090149528-A1 Cinnamic acid amides PIGS, NISCH, PIGO POLB 2777/4885SMN1; SMN2 2623/4885KMT2A 2826/4885

“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.