SCHEMBL4697633

SCHEMBL4697633

C1CCC(NC2CCCCC2)CC1.CC(C)(C)OC(=O)N1CCCC1(O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.46
THRB P10828 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.36
GAA P10253 1/20 0.36
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
JAK3 P52333 1/20 0.34
BTK Q06187 1/20 0.34
CCR2 P41597 1/20 0.34
LMNA P02545 1/20 0.34
USP30 Q70CQ3 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL2774828 0.87 GRIN2B (0.41) EPHX1HPGDGRIN2BGRIN2CJAK3
SCHEMBL1268184 0.87 GRIN2B (0.41) EPHX1HPGDGRIN2BGRIN2CJAK3
SCHEMBL199926 0.87 GRIN2B (0.41) EPHX1HPGDGRIN2BGRIN2CJAK3
SCHEMBL4002726 0.83 GRIN2B (0.38) EPHX1HPGDGRIN2BGRIN2CJAK3
SCHEMBL3370511 0.78 GRIN2B (0.41) EPHX1HPGDGRIN2BGRIN2CJAK3
SCHEMBL2429525 0.78 GRIN2B (0.41) EPHX1HPGDGRIN2BGRIN2CJAK3
SCHEMBL692636 0.76 GRIN2B (0.40) EPHX1HPGDGRIN2BGRIN2CJAK3
SCHEMBL4309286 0.76 GRIN2B (0.40) EPHX1HPGDGRIN2BGRIN2CJAK3
SCHEMBL4437296 0.76 GRIN2B (0.40) EPHX1HPGDGRIN2BGRIN2CJAK3
SCHEMBL2894589 0.75 MAPK1 (0.40) ATMGRIN2BGRIN2CJAK3USP30

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 EPHX1 3654/4885THRB 1211/4885ATM 3340/4885
US-20050096357-A1 Novel pleuromutilin derivatives FABP2, PLEC, MLNR EPHX1 3658/4885THRB 1590/4885ATM 3340/4885

“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.