SCHEMBL3550374

SCHEMBL3550374

COC(=O)c1sc(C(C)(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 14/20 0.47
MAPK14 Q16539 8/20 0.47
MAPK13 O15264 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
VCAM1 P19320 1/20 0.43

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
SCHEMBL3231061 0.83 USP10 (0.48) MAPTVCAM1
SCHEMBL3541314 0.83 TSHR (0.39) L3MBTL1
SCHEMBL4180845 0.78 ALDH1A1 (0.42) MAPTVCAM1
SCHEMBL3244346 0.78 RAF1 (0.68) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL13315269 0.76 RAF1 (0.46) RAF1MAPTVCAM1
SCHEMBL3884373 0.76 ALDH1A1 (0.40) MAPTVCAM1
SCHEMBL161668 0.76 RAF1 (0.56) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL4163196 0.75 L3MBTL1 (0.39) L3MBTL1VCAM1
SCHEMBL4159633 0.75 USP10 (0.38) MAPTL3MBTL1VCAM1
SCHEMBL9965178 0.74 RAF1 (0.51) 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 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 RAF1 55/4885MAPK14 47/4885MAPK13 52/4885

“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.