SCHEMBL13487545

SCHEMBL13487545

CNC(=O)Nc1cc(C(C)(C)C)sc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 12/20 0.56
MAPK14 Q16539 11/20 0.56
MAPK13 O15264 1/20 0.54
MAPK12 P53778 1/20 0.54
MAPK11 Q15759 1/20 0.54
RXFP1 Q9HBX9 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL3244702 0.80 MAPK14 (0.77) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL13487547 0.79 MAPK14 (0.56) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL10308314 0.79 RAF1 (0.78) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL668558 0.79 RAF1 (0.49) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL3241634 0.77 RAF1 (0.79) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL12949416 0.76 NPSR1 (0.49) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL667391 0.76 MAPK14 (0.62) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL13487575 0.75 RPS6KB1 (0.55) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL10266105 0.74 RXFP1 (0.44) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL10264698 0.74 RXFP1 (0.44) RAF1MAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041642-A1 UREA INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2010-02-18 US 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-20100041642-A1 UREA INHIBITORS OF MAP KINASES MAP4K2, MAP3K1, MAP3K20 RAF1 74/4885MAPK14 33/4885MAPK13 44/4885

“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.