SCHEMBL393373

SCHEMBL393373

CC(C)(C)N(CC(=O)O)C(=O)OCOC(=O)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.49
KMT2A Q03164 5/20 0.49
TDP1 Q9NUW8 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 1/20 0.43
THRB P10828 1/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
AGTR1 P30556 1/20 0.40
CYP2C19 P33261 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
SCHEMBL393194 0.86 TDP1 (0.60) LMNAKMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL393282 0.85 ADRB2 (0.43) LMNAKMT2AL3MBTL1ALDH1A1KDM4E
SCHEMBL390381 0.81 MAPK1 (0.41) LMNAKMT2ATDP1ALDH1A1MAPT
SCHEMBL392988 0.79 KDM4E (0.46) KMT2AL3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL394161 0.79 RAB9A (0.43) LMNAKMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL395449 0.78 NPSR1 (0.43) LMNATDP1L3MBTL1ALDH1A1MAPT
SCHEMBL390172 0.78 ADRB2 (0.43) LMNAKMT2AALDH1A1KDM4EMAPT
SCHEMBL395054 0.77 CA1 (0.43) LMNATDP1ALDH1A1MAPTMAPK1
SCHEMBL394359 0.76 HRH3 (0.43) KMT2AALDH1A1KDM4EMAPTHPGD
SCHEMBL395297 0.76 TDP1 (0.36) TDP1L3MBTL1CYP3A4

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 2954/4885KMT2A 2161/4885TDP1 4661/4885

“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.