SCHEMBL3552066

SCHEMBL3552066

CC(C)(C)c1cc(C(=O)O)c(N)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.47
ALDH1A1 P00352 5/20 0.47
GAA P10253 4/20 0.47
MEN1 O00255 3/20 0.47
HPGD P15428 3/20 0.47
RXFP1 Q9HBX9 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
RPS6KB1 P23443 1/20 0.38
GLRA3 O75311 1/20 0.37
GLRB P48167 1/20 0.37
KDM4E B2RXH2 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
UCHL1 P09936 1/20 0.35
MAPK1 P28482 2/20 0.35
IKBKB O14920 1/20 0.35
MAPT P10636 2/20 0.35
GFER P55789 1/20 0.34

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
Formamide SCHEMBL28359917 0.93 ALDH1A1 (0.42) KMT2AALDH1A1GAAMEN1HPGD
SCHEMBL3246252 0.85 IKBKB (0.46) KMT2AALDH1A1GAAMEN1HPGD
SCHEMBL3206449 0.80 GAA (0.53) KMT2AALDH1A1GAAMEN1HPGD
SCHEMBL15139146 0.78 NPSR1 (0.42) KMT2AALDH1A1GAAMEN1HPGD
SCHEMBL3647679 0.76 GAA (0.63) KMT2AALDH1A1GAAMEN1HPGD
SCHEMBL13315098 0.75 YEATS4 (0.50) KMT2AALDH1A1GAAMEN1HPGD
SCHEMBL23413716 0.74 NPSR1 (0.40) KMT2AALDH1A1HPGDRXFP1NPSR1
SCHEMBL15220321 0.74 RXFP1 (0.40) KMT2AMEN1RXFP1NPSR1RPS6KB1
SCHEMBL3932937 0.74 ALDH1A1 (0.58) KMT2AALDH1A1GAAMEN1HPGD
SCHEMBL2063091 0.73 RXFP1 (0.41) KMT2ARXFP1NPSR1KDM4EMAPK1

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 8 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
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
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 KMT2A 3153/4885ALDH1A1 3577/4885GAA 1948/4885
US-20060167247-A1 Urea inhibitors of MAP kinases MAPK1, MAP3K1, MAP3K20 KMT2A 2250/4885ALDH1A1 2027/4885GAA 1461/4885

“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.