SCHEMBL565746

SCHEMBL565746

NC(=O)c1cc(C(F)(F)F)c(Cl)nc1Cl

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 10/20 0.50
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
JAK2 O60674 1/20 0.39
LMNA P02545 1/20 0.37
XPO1 O14980 1/20 0.36
PARP1 P09874 2/20 0.36
POLB P06746 1/20 0.36
SCN9A Q15858 1/20 0.36
JUN P05412 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL30729633 0.78 CFTR (0.47) CASP1NFKB1NFKB2RELAKDM4E
SCHEMBL26915090 0.78 CFTR (0.47) CASP1NFKB1NFKB2RELAKDM4E
SCHEMBL30397207 0.77 ALDH1A1 (0.39) CASP1LMNAXPO1POLBSCN9A
SCHEMBL29028859 0.77 ALDH1A1 (0.39) CASP1LMNAXPO1POLBSCN9A
SCHEMBL10853416 0.76 PIK3CD (0.40) XPO1KDM4EALDH1A1HSD17B10
SCHEMBL166218 0.76 KEAP1 (0.69) CASP1KEAP1NFE2L2JAK2LMNA
SCHEMBL30474526 0.76 KEAP1 (0.69) CASP1KEAP1NFE2L2JAK2LMNA
SCHEMBL29406095 0.75 CASP1 (0.47) CASP1KEAP1NFE2L2LMNAPOLB
SCHEMBL566114 0.75 CASP1 (0.47) CASP1KEAP1NFE2L2LMNAPOLB
SCHEMBL15855862 0.74 ASPH (0.44) CASP1KEAP1NFE2L2JAK2KDM4E

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-9499570-B2 Boron containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2016-11-22 US disclosed
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, LLC 2015-12-31 US disclosed
US-9145429-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2015-09-29 US disclosed
US-20140200198-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2014-07-17 US disclosed
US-8716478-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2014-05-06 US disclosed
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-02-09 US disclosed
WO-2011094450-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC (US) 2011-08-04 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 (3 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-20140200198-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 CASP1 275/4885KEAP1 1636/4885NFE2L2 1942/4885
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 CASP1 275/4885KEAP1 1636/4885NFE2L2 1942/4885
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 CASP1 275/4885KEAP1 1636/4885NFE2L2 1942/4885

“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.