SCHEMBL3204397

SCHEMBL3204397

CC(C)(C)OC(=O)c1sc(C(C)(C)C)cc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.43
RXFP1 Q9HBX9 2/20 0.43
RAF1 P04049 13/20 0.40
MAPK14 Q16539 9/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 1/20 0.37

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
SCHEMBL2158125 0.76 KDM4E (0.52) NPSR1RXFP1KMT2A
SCHEMBL3216985 0.74 RPS6KB1 (0.47) NPSR1RXFP1RAF1MAPK14MAPK13
SCHEMBL15139146 0.72 NPSR1 (0.42) NPSR1RXFP1KMT2A
SCHEMBL23413716 0.71 NPSR1 (0.40) NPSR1RXFP1RAF1MAPK14MAPK13
SCHEMBL28401369 0.71 ALDH1A1 (0.37) NPSR1KMT2A
SCHEMBL27389488 0.71 ALDH1A1 (0.37) NPSR1KMT2A
SCHEMBL828474 0.71 ALDH1A1 (0.37) NPSR1KMT2A
SCHEMBL828860 0.71 ALDH1A1 (0.37) NPSR1KMT2A
SCHEMBL668558 0.71 RAF1 (0.49) NPSR1RXFP1RAF1MAPK14MAPK13
SCHEMBL3552066 0.70 KMT2A (0.47) NPSR1RXFP1L3MBTL1KMT2A

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 6 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
WO-2010019930-A1 UREA DERIVATIVES AS INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2010-02-18 WO disclosed
US-20100041642-A1 UREA INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2010-02-18 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 (2 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 NPSR1 4769/4885RXFP1 4158/4885RAF1 74/4885
US-20060167247-A1 Urea inhibitors of MAP kinases MAPK1, MAP3K1, MAP3K20 NPSR1 3691/4885RXFP1 2888/4885RAF1 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.