SCHEMBL3216985

SCHEMBL3216985

CC(C)(C)OC(=O)Nc1sc(C(C)(C)C)cc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 4/20 0.47
NPSR1 Q6W5P4 3/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
RXFP1 Q9HBX9 2/20 0.40
GRIN2C Q14957 1/20 0.40
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
LCK P06239 3/20 0.36
MAPK14 Q16539 4/20 0.35
PSMB8 P28062 1/20 0.35
MAPK13 O15264 1/20 0.35
RAF1 P04049 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL13315264 0.87 MAPK14 (0.37) RPS6KB1CA1CA2LCKMAPK14
SCHEMBL2824619 0.84 NPSR1 (0.45) NPSR1KDM4ENPC1RAB9ARXFP1
SCHEMBL23413323 0.82 DAO (0.45) NPSR1KDM4ENPC1RAB9AGRIN2C
SCHEMBL3495317 0.82 NPC1 (0.41) RPS6KB1NPSR1KDM4ENPC1RAB9A
SCHEMBL13487575 0.79 RPS6KB1 (0.55) RPS6KB1NPSR1KDM4ENPC1RAB9A
SCHEMBL3494989 0.78 NPC1 (0.70) NPSR1KDM4ENPC1RAB9A
SCHEMBL668558 0.77 RAF1 (0.49) NPSR1RXFP1MAPK14MAPK13RAF1
SCHEMBL3499136 0.76 GRIN2C (0.44) NPSR1KDM4ENPC1RAB9ARXFP1
SCHEMBL3496942 0.75 NPC1 (0.55) NPSR1KDM4ENPC1RAB9A
SCHEMBL3204397 0.74 NPSR1 (0.43) NPSR1RXFP1MAPK14MAPK13RAF1

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 3 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

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.