SCHEMBL9958632

SCHEMBL9958632

CC(C)(CF)c1cc(NC(=O)O)on1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
CNR2 P34972 15/20 0.48
CNR1 P21554 9/20 0.48
MAPK14 Q16539 4/20 0.44

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
SCHEMBL1013303 0.88 ALDH1A1 (0.50) ALDH1A1CNR2CNR1MAPK14
SCHEMBL9958104 0.86 CNR2 (0.58) ALDH1A1CNR2CNR1MAPK14
SCHEMBL2635371 0.82 ALDH1A1 (0.71) ALDH1A1CNR2CNR1MAPK14
SCHEMBL13392769 0.74 CNR2 (0.55) ALDH1A1CNR2CNR1MAPK14
SCHEMBL9891815 0.73 CNR2 (0.54) ALDH1A1CNR2CNR1MAPK14
SCHEMBL9891520 0.73 CNR2 (0.60) ALDH1A1CNR2CNR1MAPK14
SCHEMBL30486167 0.73 CNR2 (0.54) ALDH1A1CNR2CNR1MAPK14
SCHEMBL26789822 0.72 ALDH1A1 (0.53) ALDH1A1CNR2CNR1MAPK14
SCHEMBL2186110 0.72 CNR2 (0.50) ALDH1A1CNR2CNR1
SCHEMBL12566298 0.72 CNR2 (0.59) ALDH1A1CNR2CNR1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20130035326-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF FLT3, CSF3R, CSF1R ALDH1A1 1695/4885CNR2 2975/4885CNR1 2795/4885

“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.