SCHEMBL770136

SCHEMBL770136

O=C(Nc1cc(C(CO)(CO)CO)on1)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 4/20 0.46
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 5/20 0.41
MAPT P10636 3/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
MIF P14174 1/20 0.40
FLT3 P36888 2/20 0.40
IDO1 P14902 1/20 0.40
MAOB P27338 1/20 0.40
RAD51 Q06609 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL770045 0.87 RAF1 (0.50) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL769245 0.87 RAF1 (0.50) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL4903102 0.84 RAF1 (0.48) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL769541 0.84 RAF1 (0.64) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL11293751 0.82 RAF1 (0.50) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL1015499 0.82 RAF1 (0.52) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL1011493 0.81 RAF1 (0.49) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL1012213 0.80 RAF1 (0.48) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL1015351 0.80 RAF1 (0.50) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL11966207 0.79 RAF1 (0.47) RAF1MAPK13MAPK12MAPK11MAPK14

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551963-B2 Imidazolothiazole compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2013-10-08 US disclosed
US-8551963-B2 Imidazolothiazole compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2013-10-08 US disclosed
US-8551963-B2 Imidazolothiazole compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2013-10-08 US disclosed
US-20120070410-A1 IMIDAZOLOTHIAZOLE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2012-03-22 US disclosed
US-20120070410-A1 IMIDAZOLOTHIAZOLE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2012-03-22 US disclosed
US-20120070410-A1 IMIDAZOLOTHIAZOLE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2012-03-22 US disclosed
EP-2358725-A1 Imidazolothiazole compounds as modulators of protein kinase Ambit Biosciences Corporation (US) 2011-08-24 EP disclosed
WO-2010054058-A1 IMIDAZOLOTHIAZOLE COMPOUNDS AS MODULATORS OF PROTEIN KINASE AMBIT BIOSCIENCE CORPORATION (US) 2010-05-14 WO disclosed
WO-2010054058-A1 IMIDAZOLOTHIAZOLE COMPOUNDS AS MODULATORS OF PROTEIN KINASE AMBIT BIOSCIENCE CORPORATION (US) 2010-05-14 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-20120070410-A1 IMIDAZOLOTHIAZOLE COMPOUNDS AND METHODS OF USE THEREOF GRK2, GRK3, GRK4 RAF1 127/4885MAPK13 291/4885MAPK12 352/4885

“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.