SCHEMBL3540593

SCHEMBL3540593

CC(C)(C)c1cc(NC(=O)OCc2ccccc2)c(C(=O)N2CCNC(=O)CC2)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.40
MAOB P27338 1/20 0.40
F10 P00742 1/20 0.38
CASP3 P42574 1/20 0.37
PARP1 P09874 1/20 0.37

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
SCHEMBL13315294 0.79 NPC1 (0.53) MAPK14NPC1RAB9AMAOBCASP3
SCHEMBL13315291 0.77 MAPK14 (0.64) MAPK14NPC1RAB9AMAOBCASP3
SCHEMBL3545638 0.77 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11
SCHEMBL3548879 0.73 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11PARP1
SCHEMBL1570844 0.72 MEN1 (0.57) NPC1RAB9AGAA
SCHEMBL13487581 0.65 RAB9A (0.40) MAPK14NPC1RAB9AGAA
SCHEMBL92518 0.65 L3MBTL1 (0.56) NPC1RAB9AGAA
SCHEMBL7502314 0.65 MAPK1 (0.56) NPC1RAB9AGAAPARP1
SCHEMBL13487583 0.64 MAPK14 (0.49) MAPK14
SCHEMBL3539674 0.63 MAPK14 (0.52) MAPK14NPC1RAB9A

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
US-7741479-B2 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. (US) 2010-06-22 US disclosed
US-7741479-B2 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. (US) 2010-06-22 US disclosed
EP-1828169-A2 UREA INHIBITORS OF MAP KINASES Locus Pharmaceuticals, Inc. (US) 2007-09-05 EP disclosed
US-20060167247-A1 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. 2006-07-27 US disclosed
WO-2006062982-A2 UREA INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2006-06-15 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-20060167247-A1 Urea inhibitors of MAP kinases MAPK1, MAP3K1, MAP3K20 MAPK14 47/4885MAPK13 52/4885MAPK12 46/4885

“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.