SCHEMBL209143

SCHEMBL209143

COc1ccc(C(OC=CC[C@@]23CO[C@@H]([C@H](n4ccc(NC(=O)c5ccccc5)nc4=O)O2)[C@@H]3OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 2/20 0.33
P2RY14 Q15391 2/20 0.33
NT5E P21589 1/20 0.33
ABL1 P00519 1/20 0.32
RIN1 Q13671 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL1098191 0.91 P2RY6 (0.33) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL4402273 0.91 P2RY6 (0.33) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL211959 0.87 ADORA2A (0.32)
SCHEMBL6441180 0.86 P2RY6 (0.33) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL209202 0.86 P2RY6 (0.34) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL2195626 0.86 P2RY6 (0.34) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL14813328 0.86 P2RY6 (0.34) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL210108 0.86 P2RY6 (0.34) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL209741 0.86
SCHEMBL4074674 0.84 P2RY6 (0.33) P2RY6P2RY14NT5EABL1RIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376516-B1 BIS-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS ISIS PHARMACEUTICALS INC (US) 2013-04-17 EP disclosed
US-8268980-B2 5′-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
EP-2066684-B1 5'-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS ISIS PHARMACEUTICALS INC (US) 2012-07-18 EP disclosed
US-20120010393-A1 5'-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS ISIS PHARMACEUTICALS, INC. (US) 2012-01-12 US disclosed
US-8088746-B2 Bis-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-8030467-B2 5′-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2011-10-04 US disclosed
US-20100184966-A1 5'-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS ISIS PHARMACEUTICALS, INC. (US) 2010-07-22 US disclosed
US-7750131-B2 5′-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2010-07-06 US disclosed
US-20100121045-A1 BIS-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS IONIS PHARMACEUTICALS, INC. 2010-05-13 US disclosed
US-7666854-B2 Bis-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2010-02-23 US disclosed
US-20090192302-A1 5'-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS ISIS PHARMACEUTICALS, INC. (US) 2009-07-30 US disclosed
US-20090156792-A1 BIS-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS IONIS PHARMACEUTICALS, INC. 2009-06-18 US disclosed
US-7547684-B2 5′-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2009-06-16 US disclosed
US-20070287831-A1 5'-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS ISIS PHARMACEUTICALS, INC 2007-12-13 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 (6 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-20100121045-A1 BIS-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS NSUN2, ADAR, POLRMT P2RY6 4176/4885P2RY14 4178/4885NT5E 149/4885
US-20090156792-A1 BIS-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS NSUN2, ADAR, POLRMT P2RY6 4176/4885P2RY14 4178/4885NT5E 149/4885
US-20100184966-A1 5'-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS NT5C3B, NSUN2, ADAR P2RY6 3224/4885P2RY14 2545/4885NT5E 21/4885
US-20090192302-A1 5'-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS NT5C3B, NSUN2, ADAR P2RY6 3224/4885P2RY14 2545/4885NT5E 21/4885
US-20070287831-A1 5'-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS NT5C3B, NSUN2, ADAR P2RY6 3224/4885P2RY14 2545/4885NT5E 21/4885
US-20120010393-A1 5'-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS NT5C3B, NSUN2, ADAR P2RY6 3224/4885P2RY14 2545/4885NT5E 21/4885

“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.