SCHEMBL2172128

SCHEMBL2172128

Cc1cc(Cl)cc(C([O])=O)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TPMT P51580 2/20 0.44
KDR P35968 1/20 0.40
HCAR1 Q9BXC0 2/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
KCNK3 O14649 2/20 0.38
KCNK9 Q9NPC2 1/20 0.38
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.37
GPR35 Q9HC97 1/20 0.34
HPGD P15428 1/20 0.34
PARP1 P09874 2/20 0.33
HCAR2 Q8TDS4 1/20 0.33
AKT1 P31749 1/20 0.33

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
SCHEMBL502202 0.83 TPMT (0.62) TPMTHCAR1CES2CES1HPGD
SCHEMBL2170895 0.83 TPMT (0.62) TPMTKDRHCAR1CES2CES1
SCHEMBL29912669 0.82 TPMT (0.44) TPMTKDRHCAR1CES2CES1
SCHEMBL2172133 0.82 TPMT (0.70) TPMTKDRHCAR1CNR2HCAR2
SCHEMBL668260 0.82 TPMT (0.44) TPMTKDRHCAR1CES2CES1
SCHEMBL12372142 0.82 TPMT (0.44) TPMTKDRHCAR1CES2CES1
SCHEMBL22383502 0.80 PARP1 (0.50) TPMTKDRHCAR1CES2CES1
Hydrochloric Acid SCHEMBL29111199 0.80 TPMT (0.67) TPMTKDRHCAR1CNR2HCAR2
SCHEMBL14110107 0.80 TPMT (0.43) TPMTKDRHCAR1CES2CES1
SCHEMBL11526256 0.80 PARP1 (0.50) TPMTKDRHCAR1CES2CES1

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 3886/4885KDR 3240/4885HCAR1 4112/4885
US-20110294869-A1 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE POLN, SARNP, NCL TPMT 3886/4885KDR 3240/4885HCAR1 4112/4885
US-10022454-B2 Functionalized phosphorodiamites for therapeutic oligonucleotide synthesis NCL, PHOSPHO1, POLN TPMT 3047/4885KDR 2225/4885HCAR1 4052/4885
US-20170224832-A9 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE POLN, SARNP, NCL TPMT 3886/4885KDR 3240/4885HCAR1 4112/4885

“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.