SCHEMBL393176

SCHEMBL393176

Cc1cc(C)c(C(=O)OCOC(=O)N(CC(=O)O)C(C)(C)C)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.39
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP3A4 P08684 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
KEAP1 Q14145 2/20 0.32
NFE2L2 Q16236 2/20 0.32
ATM Q13315 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 4/20 0.31
HPGD P15428 2/20 0.31
CYP2C9 P11712 1/20 0.30

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
SCHEMBL390306 0.87 CA12 (0.36) ELANEL3MBTL1SMN1; SMN2ALDH1A1MEN1
SCHEMBL395297 0.85 TDP1 (0.36) L3MBTL1CYP3A4TDP1
SCHEMBL390169 0.83 ALDH1A1 (0.37) ELANEL3MBTL1SMN1; SMN2ALDH1A1TDP1
SCHEMBL394161 0.80 RAB9A (0.43) L3MBTL1SMN1; SMN2ALDH1A1CYP3A4TDP1
SCHEMBL395270 0.78 KMT2A (0.41) ELANEKDM4EL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL394164 0.78 KDM4E (0.43) KDM4EL3MBTL1ALDH1A1TDP1ATM
SCHEMBL394356 0.75 KMT2A (0.37) KDM4EL3MBTL1SMN1; SMN2ALDH1A1MEN1
SCHEMBL394504 0.74 SCN1A (0.47) KDM4EL3MBTL1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL393282 0.74 ADRB2 (0.43) KDM4EL3MBTL1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL395449 0.74 NPSR1 (0.43) L3MBTL1SMN1; SMN2ALDH1A1TDP1LMNA

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 ELANE 2946/4885KDM4E 1240/4885L3MBTL1 3336/4885

“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.