SCHEMBL395808

SCHEMBL395808

CC(C)(C)N(CC(=O)O)C(=O)OCOC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2C19 P33261 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
SRD5A2 P31213 2/20 0.37
SLC6A9 P48067 2/20 0.37
PTPN1 P18031 2/20 0.37
HTT P42858 2/20 0.37
NR4A1 P22736 1/20 0.37
NR4A2 P43354 1/20 0.37
NR4A3 Q92570 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 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
SCHEMBL395449 0.90 NPSR1 (0.43) CYP2C19MAPTALDH1A1SRD5A2NR4A2
SCHEMBL390172 0.87 ADRB2 (0.43) MAPTALDH1A1HTTNPC1LMNA
SCHEMBL394161 0.86 RAB9A (0.43) CYP1A2CYP3A4GAAMAPTALDH1A1
SCHEMBL393282 0.85 ADRB2 (0.43) CYP1A2CYP2C19MAPTALDH1A1LMNA
SCHEMBL390695 0.84 MAPT (0.44) CYP3A4GAAMAPTALDH1A1LMNA
SCHEMBL390381 0.84 MAPK1 (0.41) GAAMAPTALDH1A1NPC1LMNA
SCHEMBL392988 0.84 KDM4E (0.46) MAPTALDH1A1SLC6A9RAB9AKMT2A
SCHEMBL395054 0.84 CA1 (0.43) GAACES2CES1MAPTALDH1A1
SCHEMBL393528 0.81 HPGD (0.48) GAAMAPTALDH1A1NPC1RAB9A
SCHEMBL393339 0.81 KMT2A (0.44) MAPTALDH1A1HTTLMNAKMT2A

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 CYP1A2 1427/4885CYP3A4 1273/4885GAA 1566/4885

“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.