SCHEMBL2972162

SCHEMBL2972162

CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C)c(NC(=O)c2ccccc2)nc1=O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 4/20 0.44
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
P2RY14 Q15391 2/20 0.42
NT5E P21589 1/20 0.42
POLB P06746 1/20 0.42
ABL1 P00519 1/20 0.42
RIN1 Q13671 1/20 0.42
LGALS9 O00182 1/20 0.39
LGALS1 P09382 1/20 0.39
LGALS3 P17931 1/20 0.39
LGALS7; LGALS7B P47929 1/20 0.39
TK2 O00142 2/20 0.39
ADORA3 P0DMS8 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RNASE1 P07998 1/20 0.38

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
SCHEMBL2972166 1.00 P2RY6 (0.44) P2RY6ALDH1A1HTTP2RY14NT5E
SCHEMBL3287903 0.92 P2RY6 (0.43) P2RY6ALDH1A1HTTP2RY14NT5E
SCHEMBL19407978 0.92 P2RY6 (0.43) P2RY6ALDH1A1HTTP2RY14NT5E
SCHEMBL14363434 0.92 P2RY6 (0.43) P2RY6ALDH1A1HTTP2RY14NT5E
SCHEMBL19407903 0.91 POLB (0.42) P2RY6ALDH1A1HTTP2RY14NT5E
SCHEMBL3287912 0.90 P2RY6 (0.41) P2RY6ALDH1A1HTTP2RY14NT5E
SCHEMBL2985322 0.90 P2RY6 (0.51) P2RY6ALDH1A1HTTP2RY14NT5E
SCHEMBL2985316 0.90 P2RY6 (0.51) P2RY6ALDH1A1HTTP2RY14NT5E
SCHEMBL7252603 0.88 P2RY6 (0.41) P2RY6ALDH1A1HTTP2RY14NT5E
SCHEMBL13205002 0.88 P2RY6 (0.44) P2RY6ALDH1A1HTTP2RY14NT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401852-B1 METHODS FOR PREPARING OLIGONUCLEOTIDES HAVING CHIRAL PHOSPHOROTHIOATE LINKAGES ISIS PHARMACEUTICALS INC (US) 2013-09-11 EP disclosed
US-7772387-B2 Oligonucleotides comprising a modified or non-natural nucleobase ALNYLAM PHARMACEUTICALS (US) 2010-08-10 US disclosed
US-7723511-B2 Synthesis of sulfurized oligonucleotides ISIS PHARMACEUTICALS, INC. (US) 2010-05-25 US disclosed
US-20090281298-A1 OLIGONUCLEOTIDES COMPRISING A MODIFIED OR NON-NATURAL NUCLEOBASE ALNYLAM PHARMACEUTICALS, INC. (US) 2009-11-12 US disclosed
US-7579451-B2 Oligonucleotides comprising a modified or non-natural nucleobase ALNYLAM PHARMACEUTICALS, INC. (US) 2009-08-25 US disclosed
US-20080293929-A1 SYNTHESIS OF SULFURIZED OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 2008-11-27 US disclosed
US-7378516-B2 Synthesis of sulfurized oligonucleotides ISIS PHARMACEUTICALS, INC. (US) 2008-05-27 US disclosed
EP-1828215-A2 OLIGONUCLEOTIDES COMPRISING A MODIFIED OR NON-NATURAL NUCLEOBASE Alnylam Pharmaceuticals Inc. (US) 2007-09-05 EP disclosed
US-7227015-B2 Synthesis of sulfurized oligonucleotides ISIS PHARMACEUTICALS, INC. (US) 2007-06-05 US disclosed
WO-2006093526-A2 OLIGONUCLEOTIDES COMPRISING A MODIFIED OR NON-NATURAL NUCLEOBASE ALNYLAM PHARMACEUTICALS, INC. (US) 2006-09-08 WO disclosed
US-20060041115-A1 Methods for preparing oligonucleotides having chiral phosphorothioate linkages ISIS PHARMACEUTICALS, INC. 2006-02-23 US disclosed
US-20060035254-A1 Oligonucleotides comprising a modified or non-natural nucleobase ALNYLAM PHARMACEUTICALS, INC. (US) 2006-02-16 US disclosed
US-20050165226-A1 Synthesis of sulfurized oligonucleotides ISIS PHARMACEUTICALS INC. 2005-07-28 US disclosed
US-20030212267-A1 Synthesis of sulfurized oligonucleotides IONIS PHARMACEUTICALS, INC. 2003-11-13 US disclosed
US-20030069410-A1 Methods for preparing oligonucleotides having chiral phosphorothioate linkages ISIS PHARMACEUTICALS, INC. 2003-04-10 US disclosed
EP-1246833-A4 IMPROVED SYNTHESIS OF SULFURIZED OLIGONUCLEOTIDES ISIS PHARMACEUTICALS INC (US) 2003-04-09 EP disclosed
EP-1246833-A1 IMPROVED SYNTHESIS OF SULFURIZED OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 2002-10-09 EP disclosed
WO-2001051502-A1 IMPROVED SYNTHESIS OF SULFURIZED OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 2001-07-19 WO disclosed
US-6242591-B1 Synthesis of sulfurized 2'-substituted oligonucleotides ISIS PHARMACEUTICALS, INC. 2001-06-05 US 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-20060041115-A1 Methods for preparing oligonucleotides having chiral phosphorothioate linkages RNGTT, NUDT1, NSUN2 P2RY6 1017/4885ALDH1A1 3923/4885HTT 2220/4885
US-20030069410-A1 Methods for preparing oligonucleotides having chiral phosphorothioate linkages RNGTT, TYMP, POLN P2RY6 841/4885ALDH1A1 3152/4885HTT 1251/4885
US-20090281298-A1 OLIGONUCLEOTIDES COMPRISING A MODIFIED OR NON-NATURAL NUCLEOBASE NT5C3B, DERA, DUT P2RY6 121/4885ALDH1A1 1623/4885HTT 1094/4885
US-20060035254-A1 Oligonucleotides comprising a modified or non-natural nucleobase NT5C3B, DERA, DUT P2RY6 121/4885ALDH1A1 1623/4885HTT 1094/4885

“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.