SCHEMBL389298

SCHEMBL389298

CC(C)COC(=O)N(CC(=O)OCc1ccccc1)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.40
SLC15A1 P46059 1/20 0.40
CDC25B P30305 1/20 0.39
CTSS P25774 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.38
ABCB1 P08183 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CTSK P43235 2/20 0.38

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
SCHEMBL390305 0.86 SLC15A1 (0.43) ALDH1A1L3MBTL1MAPK1SMN1; SMN2SLC15A1
SCHEMBL393231 0.85 ALDH1A1 (0.42) ALDH1A1L3MBTL1MAPK1SMN1; SMN2SLC15A1
SCHEMBL393742 0.84 ALDH1A1 (0.46) ALDH1A1L3MBTL1MAPK1SMN1; SMN2CDC25B
SCHEMBL393395 0.84 ALDH1A1 (0.49) ALDH1A1L3MBTL1MAPK1SMN1; SMN2KMT2A
SCHEMBL6897847 0.83 ALDH1A1 (0.47) ALDH1A1L3MBTL1MAPK1TSHRSLC15A1
SCHEMBL4629959 0.83 ALDH1A1 (0.47) ALDH1A1L3MBTL1MAPK1SMN1; SMN2CDC25B
SCHEMBL393102 0.82 ALDH1A1 (0.59) ALDH1A1L3MBTL1MAPK1SMN1; SMN2TSHR
SCHEMBL395208 0.82 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAPK1SMN1; SMN2TSHR
SCHEMBL389124 0.81 ALDH1A1 (0.53) ALDH1A1L3MBTL1MAPK1SMN1; SMN2TSHR
SCHEMBL393477 0.81 ALDH1A1 (0.43) ALDH1A1L3MBTL1MAPK1SMN1; SMN2CDC25B

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-8101590-B2 9-aminocarbonylsubstituted derivatives of glycylcyclines WYETH LLC (US) 2012-01-24 US disclosed
US-8101590-B2 9-aminocarbonylsubstituted derivatives of glycylcyclines WYETH LLC (US) 2012-01-24 US disclosed
US-8101590-B2 9-aminocarbonylsubstituted derivatives of glycylcyclines WYETH LLC (US) 2012-01-24 US disclosed
EP-1919879-A1 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES Wyeth a Corporation of the State of Delaware (US) 2008-05-14 EP disclosed
WO-2007027599-A1 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES WYETH (US) 2007-03-08 WO disclosed
WO-2007027599-A1 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES WYETH (US) 2007-03-08 WO disclosed
US-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines WYETH (US) 2007-03-01 US disclosed
US-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines WYETH (US) 2007-03-01 US disclosed
US-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines WYETH (US) 2007-03-01 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 (1 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-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines Q6ZSR9, GMPS, RPS10 ALDH1A1 1826/4885L3MBTL1 3336/4885MAPK1 1988/4885

“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.