SCHEMBL390167

SCHEMBL390167

CC(C)(C)N(CC(=O)O)C(=O)OCOC(=O)/C=C/c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
AKR1B10 O60218 3/20 0.46
AKR1B1 P15121 3/20 0.46
ALDH1A1 P00352 1/20 0.45
RAB9A P51151 2/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
CA12 O43570 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
APP P05067 1/20 0.40
MAOB P27338 1/20 0.40
NPC1 O15118 1/20 0.40
EGFR P00533 1/20 0.40

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
SCHEMBL390168 1.00 LMNA (0.48) LMNAAKR1B10AKR1B1ALDH1A1RAB9A
SCHEMBL393672 0.84 AKR1B10 (0.42) LMNAAKR1B10AKR1B1ALDH1A1RAB9A
SCHEMBL9855968 0.79 LMNA (0.71) LMNAAKR1B10AKR1B1ALDH1A1RAB9A
SCHEMBL9855964 0.79 LMNA (0.71) LMNAAKR1B10AKR1B1ALDH1A1RAB9A
SCHEMBL395143 0.75 LMNA (0.45) LMNAALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL6746067 0.75 LMNA (0.61) LMNAAKR1B10AKR1B1ALDH1A1RAB9A
SCHEMBL6746068 0.75 LMNA (0.61) LMNAAKR1B10AKR1B1ALDH1A1RAB9A
SCHEMBL390306 0.74 CA12 (0.36) LMNAALDH1A1KMT2AMEN1CA12
SCHEMBL392988 0.73 KDM4E (0.46) ALDH1A1RAB9AKMT2AMEN1L3MBTL1
SCHEMBL390381 0.73 MAPK1 (0.41) LMNAALDH1A1RAB9AKMT2ANPC1

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 LMNA 2954/4885AKR1B10 257/4885AKR1B1 2129/4885

“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.