SCHEMBL4039573

SCHEMBL4039573

COC(=O)c1cnc(N(OC(C)(C)C)C(=O)OC(C)(C)C)c(C#N)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.35
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
MAPK1 P28482 2/20 0.33
ATM Q13315 1/20 0.33
PSMD14 O00487 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
AAK1 Q2M2I8 1/20 0.31
TRPA1 O75762 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
XDH P47989 2/20 0.31
P2RY12 Q9H244 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
CSF1R P07333 1/20 0.31
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL4038616 0.87 XDH (0.38) ALDH1A1HPGDXDH
SCHEMBL4039576 0.87 MAPK1 (0.38) GAAKDM4EALDH1A1HPGDCRHBP
SCHEMBL4038613 0.73 PDPK1 (0.35) GAAALDH1A1AAK1XDHHTT
SCHEMBL31133019 0.72 GAA (0.55) GAAKDM4EALDH1A1HPGDMAPK1
SCHEMBL31132686 0.72 GAA (0.55) GAAKDM4EALDH1A1HPGDMAPK1
SCHEMBL7257309 0.72 KDM4E (0.42) GAAKDM4EALDH1A1MAPK1ATM
SCHEMBL4037522 0.71 HTT (0.38) KDM4EALDH1A1MAPK1LMNAHTT
SCHEMBL6118870 0.70 MAPK1 (0.44) GAAKDM4EALDH1A1MAPK1ATM
SCHEMBL15582692 0.70 GAA (0.49) GAAKDM4EALDH1A1HPGDCRHBP
SCHEMBL30908249 0.69 TDP1 (0.44) GAAKDM4EALDH1A1MAPK1ATM

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268443-B1 2-HYDROXY-MUTILIN CARBAMATE DERIVATIVES FOR ANTIBACTERIAL USE SMITHKLINE BEECHAM PLC (GB) 2009-07-29 EP disclosed
US-6972297-B2 2-Hydroxy-mutilin carbamate derivatives for antibacterial use SMITHKLINE BEECHAM P.L.C. (GB) 2005-12-06 US disclosed
US-20030114674-A1 2-Hydroxy-mutilin carbamate derivatives for antibacterial use SMITHKLINE BEECHAM P.L.C. (GB) 2003-06-19 US disclosed
EP-1268443-A1 2-HYDROXY-MUTILIN CARBAMATE DERIVATIVES FOR ANTIBACTERIAL USE SmithKline Beecham p.l.c. (GB) 2003-01-02 EP disclosed
WO-2001074788-A1 2-HYDROXY-MUTILIN CARBAMATE DERIVATIVES FOR ANTIBACTERIAL USE SMITHKLINE BEECHAM PLC (GB) 2001-10-11 WO 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-20030114674-A1 2-Hydroxy-mutilin carbamate derivatives for antibacterial use MSH6, MSH2, PMS2 GAA 798/4885KDM4E 1084/4885ALDH1A1 1967/4885

“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.