SCHEMBL390381

SCHEMBL390381

CC(C)(C)N(CC(=O)O)C(=O)OCOC(=O)c1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
LMNA P02545 1/20 0.40
ELANE P08246 4/20 0.40
ALOX5 P09917 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
TDP1 Q9NUW8 3/20 0.39
SLC6A3 Q01959 2/20 0.39
HTR1A P08908 1/20 0.39
CYP2D6 P10635 1/20 0.39
SCN1A P35498 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
HPGD P15428 3/20 0.38
ALDH1A1 P00352 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
SCHEMBL392988 0.90 KDM4E (0.46) MAPK1HIF1AELANERAB9AHPGD
SCHEMBL394161 0.87 RAB9A (0.43) MAPK1LMNARAB9ANPC1TDP1
SCHEMBL395726 0.86 KMT2A (0.48) MAPK1LMNARAB9ANPC1TDP1
SCHEMBL390172 0.86 ADRB2 (0.43) MAPK1LMNARAB9ANPC1ADRB2
SCHEMBL395449 0.86 NPSR1 (0.43) MAPK1LMNARAB9ANPC1TDP1
SCHEMBL395054 0.85 CA1 (0.43) MAPK1LMNAELANERAB9ANPC1
SCHEMBL394359 0.84 HRH3 (0.43) RAB9ANPC1ADRB2ADRB1ADRB3
SCHEMBL395808 0.84 CYP1A2 (0.38) LMNARAB9ANPC1ALDH1A1KMT2A
SCHEMBL395535 0.83 PPARA (0.37) MAPK1HIF1ALMNAELANEALOX5
SCHEMBL393282 0.83 ADRB2 (0.43) MAPK1LMNARAB9AADRB2ADRB1

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 MAPK1 1988/4885HIF1A 4710/4885LMNA 2954/4885

“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.