SCHEMBL13487575

SCHEMBL13487575

CNC(=O)Nc1sc(C(C)(C)C)cc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 7/20 0.55
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
GRIN2C Q14957 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MAPK14 Q16539 9/20 0.41
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
RAF1 P04049 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL7819915 0.80 RPS6KB1 (0.64) RPS6KB1MAPK14RAF1
SCHEMBL13487574 0.79 MAPK14 (0.56) RPS6KB1MAPK14MAPK13MAPK12MAPK11
SCHEMBL3543192 0.79 MAPK14 (0.65) RPS6KB1NPSR1KDM4ENPC1RAB9A
SCHEMBL3216985 0.79 RPS6KB1 (0.47) RPS6KB1NPSR1KDM4ENPC1RAB9A
SCHEMBL3545513 0.76 RPS6KB1 (0.68) RPS6KB1NPC1RAB9AMAPK14MAPK13
SCHEMBL3549445 0.76 MAPK14 (0.71) RPS6KB1KDM4ENPC1RAB9AMAPK14
SCHEMBL3541451 0.76 MAPK14 (0.65) RPS6KB1MAPK14MAPK13MAPK12MAPK11
SCHEMBL13487545 0.75 RAF1 (0.56) NPSR1RXFP1MAPK14MAPK13MAPK12
SCHEMBL4366522 0.73 RPS6KB1 (0.58) RPS6KB1MAPK14MAPK13MAPK12MAPK11
SCHEMBL13487556 0.73 MAPK14 (0.38) RPS6KB1MAPK14MAPK13MAPK12MAPK11

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 RPS6KB1 355/4885NPSR1 4769/4885KDM4E 2770/4885

“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.