SCHEMBL3549445

SCHEMBL3549445

CC(C)(C)c1cc(C(=O)O)c(NC(=O)Nc2cccc3ccccc23)s1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.71
MAPK13 O15264 3/20 0.67
MAPK12 P53778 3/20 0.67
MAPK11 Q15759 3/20 0.67
GRIK1 P39086 1/20 0.54
RPS6KB1 P23443 1/20 0.53
KDM4E B2RXH2 2/20 0.51
MAPT P10636 1/20 0.51
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL3548734 0.83 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11RPS6KB1
SCHEMBL3548932 0.82 MAPK14 (0.82) MAPK14MAPK13MAPK12MAPK11RPS6KB1
SCHEMBL3541451 0.81 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11RPS6KB1
SCHEMBL3543033 0.81 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11RPS6KB1
SCHEMBL3541911 0.81 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11RPS6KB1
SCHEMBL3542606 0.80 MAPK14 (0.80) MAPK14MAPK13MAPK12MAPK11RPS6KB1
SCHEMBL3545513 0.80 RPS6KB1 (0.68) MAPK14MAPK13MAPK12MAPK11GRIK1
SCHEMBL3544086 0.80 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL13315250 0.79 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL5279056 0.79 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11RPS6KB1

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 47/4885MAPK13 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.