SCHEMBL3543192

SCHEMBL3543192

CC(C)(C)c1cc(C(=O)O)c(NC(=O)Nc2ccc(Cl)cc2)s1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.65
RPS6KB1 P23443 3/20 0.62
RAF1 P04049 1/20 0.57
GRIK1 P39086 1/20 0.52
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
XBP1 P17861 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46

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
SCHEMBL7819915 0.88 RPS6KB1 (0.64) MAPK14RPS6KB1RAF1
SCHEMBL3545513 0.81 RPS6KB1 (0.68) MAPK14RPS6KB1GRIK1NPC1RAB9A
SCHEMBL4376912 0.81 RPS6KB1 (0.56) MAPK14RPS6KB1RAF1GRIK1MAPK13
SCHEMBL4366522 0.80 RPS6KB1 (0.58) MAPK14RPS6KB1RAF1MAPK13MAPK12
SCHEMBL3547903 0.79 MAPK14 (1.00) MAPK14RPS6KB1MAPK13MAPK12MAPK11
SCHEMBL3544859 0.79 MEN1 (0.60) MAPK14RPS6KB1GRIK1NPC1RAB9A
SCHEMBL13487575 0.79 RPS6KB1 (0.55) MAPK14RPS6KB1RAF1NPC1RAB9A
SCHEMBL3541451 0.78 MAPK14 (0.65) MAPK14RPS6KB1MAPTMEN1KMT2A
SCHEMBL31001100 0.77 RPS6KB1 (1.00) MAPK14RPS6KB1NPC1RAB9A
SCHEMBL3544069 0.77 MAPK14 (1.00) MAPK14RPS6KB1MAPK13MAPK12MAPK11

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-1828169-A2 UREA INHIBITORS OF MAP KINASES Locus Pharmaceuticals, Inc. (US) 2007-09-05 EP claimed
US-20060167247-A1 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. 2006-07-27 US claimed
WO-2006062982-A2 UREA INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2006-06-15 WO claimed
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 47/4885RPS6KB1 207/4885RAF1 55/4885

“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.