SCHEMBL393990

SCHEMBL393990

CCCCCCCCCCCCOc1ccc(C(=O)OCOC(=O)N(CC(=O)O)C(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
PLA2G4B P0C869 6/20 0.50
RARB P10826 3/20 0.48
PLA2G4A P47712 1/20 0.46
THRA P10827 2/20 0.45
THRB P10828 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
STS P08842 1/20 0.44

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
SCHEMBL392989 1.00 TP53 (0.51) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL393060 0.86 TSHR (0.44) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL392959 0.86 TSHR (0.44) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL394161 0.80 RAB9A (0.43) NPC1LMNASMN1; SMN2
SCHEMBL393339 0.80 KMT2A (0.44) TP53THRBLMNA
SCHEMBL390172 0.79 ADRB2 (0.43) NPC1LMNASMN1; SMN2
SCHEMBL390381 0.78 MAPK1 (0.41) TSHRNPC1LMNASMN1; SMN2
SCHEMBL392988 0.78 KDM4E (0.46) SMN1; SMN2
SCHEMBL24059782 0.75 NAAA (0.42) TP53TSHRLMNA
SCHEMBL8076659 0.75 NPC1 (0.71) TP53TSHRPLA2G4BRARBNFKB1

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 TP53 2975/4885TSHR 2245/4885PLA2G4B 4667/4885

“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.