SCHEMBL392995

SCHEMBL392995

CC(C)(C)N(CC(=O)OCc1ccccc1)C(=O)OCOC(=O)CC1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.41
GLA P06280 1/20 0.39
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
FKBP1A P62942 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
ENPP2 Q13822 1/20 0.37
EPHX2 P34913 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 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
SCHEMBL392735 0.99 SIGMAR1 (0.40) SIGMAR1GLAALDH1A1L3MBTL1MAPK1
SCHEMBL393412 0.90 KLK7 (0.44) SIGMAR1ALDH1A1L3MBTL1TDP1NPC1
SCHEMBL395704 0.88 SIGMAR1 (0.40) SIGMAR1ALDH1A1L3MBTL1MAPK1NPC1
SCHEMBL393504 0.87 SIGMAR1 (0.40) SIGMAR1ALDH1A1L3MBTL1MAPK1NPC1
SCHEMBL394238 0.86 TSHR (0.41) SIGMAR1ALDH1A1L3MBTL1MAPK1NPC1
SCHEMBL390082 0.85 ALDH1A1 (0.40) SIGMAR1ALDH1A1L3MBTL1MAPK1NPC1
SCHEMBL395208 0.83 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAPK1TDP1RAB9A
SCHEMBL393102 0.83 ALDH1A1 (0.59) ALDH1A1L3MBTL1MAPK1TDP1SMN1; SMN2
SCHEMBL393477 0.82 ALDH1A1 (0.43) ALDH1A1L3MBTL1MAPK1TDP1SMN1; SMN2
SCHEMBL394986 0.82 ALDH1A1 (0.43) ALDH1A1L3MBTL1MAPK1TDP1SMN1; SMN2

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
EP-1919879-A1 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES Wyeth a Corporation of the State of Delaware (US) 2008-05-14 EP claimed
WO-2007027599-A1 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES WYETH (US) 2007-03-08 WO claimed
US-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines WYETH (US) 2007-03-01 US claimed
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
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 SIGMAR1 2080/4885GLA 624/4885ALDH1A1 1826/4885

“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.