SCHEMBL1256126

SCHEMBL1256126

CC(C)(C)c1cc(NC(=O)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)on1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
MAPK14 Q16539 6/20 0.43
GAPDH P04406 1/20 0.41
CNR2 P34972 1/20 0.40
HIF1A Q16665 2/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
MAPK13 O15264 1/20 0.39
RAF1 P04049 1/20 0.39
LPL P06858 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
RET P07949 1/20 0.39
KMT2A Q03164 1/20 0.38
ROCK1 Q13464 1/20 0.38
DGAT1 O75907 1/20 0.38
F11 P03951 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
SCHEMBL23170036 0.90 RET (0.49) ALDH1A1MAPK14GAPDHHIF1ACA1
SCHEMBL1257268 0.81 FLT3 (0.54) GAPDHRAF1RETROCK1
SCHEMBL1257126 0.80 ALDH1A1 (0.53) ALDH1A1MAPK14GAPDHCNR2MAPK13
SCHEMBL13199941 0.80 MAPK14 (0.65) ALDH1A1MAPK14GAPDHCNR2
SCHEMBL13200823 0.80 CNR2 (0.53) ALDH1A1MAPK14GAPDHCNR2
SCHEMBL3382233 0.80 RET (0.50) MAPK14RET
SCHEMBL13200803 0.78 KMT2A (0.61) ALDH1A1MAPK14CNR2CA1CA2
SCHEMBL13199944 0.78 ALDH1A1 (0.51) ALDH1A1MAPK14GAPDHCNR2MAPK13
SCHEMBL13200489 0.76 CNR2 (0.50) ALDH1A1MAPK14GAPDHCNR2RAF1
SCHEMBL16055538 0.76 RET (0.53) MAPK14HIF1ARETROCK1DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9725465-B2 Biaryl acetamide compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2017-08-08 US disclosed
EP-3039021-A1 BIARYL ACETAMIDE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2016-07-06 EP disclosed
US-20150065468-A1 BIARYL ACETAMIDE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP (US) 2015-03-05 US disclosed
WO-2015031613-A1 BIARYL ACETAMIDE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2015-03-05 WO disclosed
US-20130035326-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-02-07 US disclosed
EP-2467137-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2012-06-27 EP disclosed
WO-2011022473-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2011-02-24 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-20150065468-A1 BIARYL ACETAMIDE COMPOUNDS AND METHODS OF USE THEREOF ERBB2, ERBB3, AADAC ALDH1A1 1370/4885MAPK14 962/4885GAPDH 1574/4885
US-20130035326-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF FLT3, CSF3R, CSF1R ALDH1A1 1695/4885MAPK14 1534/4885GAPDH 1316/4885

“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.