SCHEMBL2171006

SCHEMBL2171006

[O]C(=O)c1cc(Cl)cc(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.44
HCAR1 Q9BXC0 1/20 0.39
GPR139 Q6DWJ6 1/20 0.38
ACLY P53396 1/20 0.37
GPR35 Q9HC97 2/20 0.34
HCAR2 Q8TDS4 2/20 0.33
PARP1 P09874 2/20 0.33
POLB P06746 1/20 0.33
FLT1 P17948 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RAB9A P51151 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
DDR1 Q08345 1/20 0.32
WDR5 P61964 1/20 0.32
PGR P06401 1/20 0.32

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
SCHEMBL2169888 0.83 PARP1 (0.39) HCAR2PARP1POLB
SCHEMBL2170895 0.83 TPMT (0.62) TPMTHCAR1HCAR2PARP1FLT1
SCHEMBL29912760 0.82 TPMT (0.44) TPMTHCAR1GPR139ACLYGPR35
SCHEMBL560354 0.82 TPMT (0.70) TPMTHCAR1GPR139ACLYGPR35
SCHEMBL29912726 0.82 TPMT (0.70) TPMTHCAR1GPR139ACLYGPR35
SCHEMBL986020 0.82 TPMT (0.44) TPMTHCAR1GPR139ACLYGPR35
SCHEMBL6246571 0.80 TPMT (0.43) TPMTHCAR1GPR139ACLYGPR35
SCHEMBL1363329 0.80 PARP1 (0.50) TPMTHCAR1GPR139ACLYPARP1
SCHEMBL30973118 0.78 TPMT (0.46) TPMTHCAR1GPR139ACLYGPR35
SCHEMBL27294868 0.78 TPMT (0.46) TPMTHCAR1GPR139ACLYGPR35

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-10022454-B2 Functionalized phosphorodiamites for therapeutic oligonucleotide synthesis LIPOSCIENCES, LLC (US) 2018-07-17 US disclosed
US-20170224832-A9 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE PETERSEN SCOTT G (US) 2017-08-10 US disclosed
EP-3067359-A1 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE Petersen, Scott G. (US) 2016-09-14 EP disclosed
US-20140329775-A1 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE PETERSEN SCOTT G (US) 2014-11-06 US disclosed
US-20110294869-A1 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE TRAVERSA THERAPEUTICS, INC. (US) 2011-12-01 US disclosed
EP-2346883-A2 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE Traversa Therapeutics, Inc. (US) 2011-07-27 EP disclosed
WO-2010039543-A2 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE TRAVERSA THERAPEUTICS, INC. (US) 2010-04-08 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 (4 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-20140329775-A1 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE POLN, SARNP, NCL TPMT 3886/4885HCAR1 4112/4885GPR139 4534/4885
US-20110294869-A1 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE POLN, SARNP, NCL TPMT 3886/4885HCAR1 4112/4885GPR139 4534/4885
US-10022454-B2 Functionalized phosphorodiamites for therapeutic oligonucleotide synthesis NCL, PHOSPHO1, POLN TPMT 3047/4885HCAR1 4052/4885GPR139 3071/4885
US-20170224832-A9 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE POLN, SARNP, NCL TPMT 3886/4885HCAR1 4112/4885GPR139 4534/4885

“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.