SCHEMBL4696451

SCHEMBL4696451

CC(=O)OCc1cnc(NC(=O)OC(C)(C)C)c(C#N)n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.38
MAPKAPK2 P49137 9/20 0.37
AR P10275 2/20 0.36
JAK3 P52333 1/20 0.35
BTK Q06187 1/20 0.35
EGLN2 Q96KS0 2/20 0.33
STK17B O94768 1/20 0.33
STK17A Q9UEE5 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
BCHE P06276 1/20 0.31
CYP17A1 P05093 1/20 0.31

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
SCHEMBL6383116 0.79 SYK (0.39) SYKMAPKAPK2ARJAK3BTK
SCHEMBL6377179 0.79 AR (0.39) SYKMAPKAPK2ARJAK3BTK
SCHEMBL4697307 0.77 SYK (0.32) SYK
SCHEMBL9894703 0.75 GSK3B (0.38) MAPKAPK2CYP17A1
SCHEMBL4697306 0.73 KDM4E (0.35) STK17A
SCHEMBL5239139 0.72 MAPKAPK2 (0.31) MAPKAPK2
SCHEMBL20843719 0.70 SYK (0.36) SYKMAPKAPK2ARJAK3BTK
SCHEMBL2828644 0.69 CCR2 (0.40) CYP17A1
SCHEMBL28152360 0.68 SREBF2 (0.44) SYKCYP17A1
SCHEMBL22425782 0.68 SMN1; SMN2 (0.40) NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1889845-A1 NOVEL PLEUROMUTILIN DERIVATIVES SmithKline Beecham P.L.C. (GB) 2008-02-20 EP disclosed
EP-1538150-B1 NOVEL PLEUROMUTILIN DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2007-06-27 EP disclosed
US-7160907-B2 Pleuromutilin derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2007-01-09 US disclosed
EP-1538150-A1 NOVEL PLEUROMUTILIN DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2005-06-08 EP disclosed
EP-1351959-B1 NOVEL PLEUROMUTILIN DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2005-06-01 EP disclosed
US-6900345-B2 Pleuromutilin derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2005-05-31 US disclosed
US-20050096357-A1 Novel pleuromutilin derivatives SMITHKLINE BEECHAM P.L.C. 2005-05-05 US disclosed
US-20040024059-A1 Novel pleuromutilin derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-05 US disclosed
EP-1351959-A1 NOVEL PLEUROMUTILIN DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2003-10-15 EP disclosed
WO-2002030929-A1 NOVEL PLEUROMUTILIN DERIVATIVES SMITHKLINE BEECHAM P.L.C. (GB) 2002-04-18 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 (2 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-20040024059-A1 Novel pleuromutilin derivatives PLEC, MLNR, FABP2 SYK 2916/4885MAPKAPK2 1682/4885AR 4877/4885
US-20050096357-A1 Novel pleuromutilin derivatives FABP2, PLEC, MLNR SYK 2559/4885MAPKAPK2 1632/4885AR 4883/4885

“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.