SCHEMBL1817463

SCHEMBL1817463

O=C(O)Cc1cccc(NC(=O)C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
NR1H4 Q96RI1 6/20 0.57
SELP P16109 2/20 0.56
SELE P16581 2/20 0.56
HPSE Q9Y251 2/20 0.56
PPARG P37231 5/20 0.53
PPARD Q03181 5/20 0.53
PPARA Q07869 5/20 0.53
PDK1 Q15118 1/20 0.52
PDK2 Q15119 1/20 0.52
PDK3 Q15120 1/20 0.52
PDK4 Q16654 1/20 0.52
SELL P14151 1/20 0.52
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52

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
SCHEMBL10756329 0.85 ITGB3 (0.55) L3MBTL1NR1H4SELPSELEPPARG
SCHEMBL14041043 0.84 L3MBTL1 (0.61) L3MBTL1PDK1PDK2PDK3PDK4
SCHEMBL28182250 0.84 PDK1 (0.71) L3MBTL1PDK1PDK2PDK3PDK4
SCHEMBL1818346 0.84 L3MBTL1 (0.57) L3MBTL1NR1H4PDK1PDK2PDK3
SCHEMBL15601887 0.83 HDAC3 (0.72) L3MBTL1PDK1PDK2PDK3PDK4
SCHEMBL7276139 0.83 L3MBTL1 (0.59) L3MBTL1PDK1PDK2PDK3PDK4
SCHEMBL27673183 0.83 L3MBTL1 (0.59) L3MBTL1PDK1PDK2PDK3PDK4
SCHEMBL1819254 0.81 L3MBTL1 (0.58) L3MBTL1PDK1PDK2PDK3PDK4
SCHEMBL20981664 0.81 L3MBTL1 (0.82) L3MBTL1PDK1PDK2PDK3PDK4
SCHEMBL3982915 0.80 MEN1 (0.56) L3MBTL1NR1H4MEN1MAPTKMT2A

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-8461134-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US disclosed
US-20110172187-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-07-14 US disclosed
WO-2011060196-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-05-19 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-20110172187-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD L3MBTL1 270/4885NR1H4 931/4885SELP 719/4885

“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.