SCHEMBL3547780

SCHEMBL3547780

CC(C)(C)c1cc(CN2CCS(=O)(=O)CC2)c(NC(=O)Nc2ccc(Cl)cc2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 1.00
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
RPS6KB1 P23443 3/20 0.47
RAF1 P04049 1/20 0.47
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44

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
SCHEMBL3552867 0.87 MAPK14 (1.00) MAPK14RPS6KB1MAPK13MAPK12MAPK11
SCHEMBL3549533 0.85 MAPK14 (1.00) MAPK14KDM4EALDH1A1MAPTRAB9A
SCHEMBL3547903 0.82 MAPK14 (1.00) MAPK14RPS6KB1MAPK13MAPK12MAPK11
SCHEMBL3549470 0.80 MAPK14 (1.00) MAPK14RPS6KB1MAPK13MAPK12MAPK11
SCHEMBL3552734 0.76 MAPK14 (1.00) MAPK14RPS6KB1RAF1MAPK13MAPK12
SCHEMBL3194760 0.74 MAPK14 (0.70) MAPK14MAPTMAPK13MAPK12MAPK11
SCHEMBL3549267 0.73 MAPK14 (0.83) MAPK14RPS6KB1MAPK13MAPK12MAPK11
SCHEMBL3545324 0.73 MAPK14 (0.82) MAPK14RPS6KB1MAPK13MAPK12MAPK11
SCHEMBL3543192 0.72 MAPK14 (0.65) MAPK14KDM4EMAPTRAB9ARPS6KB1
SCHEMBL3549747 0.72 MAPK14 (0.81) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060167247-A1 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. 2006-07-27 US 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 47/4885KDM4E 1734/4885ALDH1A1 2027/4885

“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.