SCHEMBL1666138

SCHEMBL1666138

COC[C@@H]1O[C@H]2[C@H](n3cnc4c(=O)[nH]c(NC(=O)C(C)C)nc43)O[C@]1(COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TYMP P19971 3/20 0.37
KDM4E B2RXH2 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
HPGD P15428 1/20 0.30

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
SCHEMBL1935584 1.00 TYMP (0.37) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL1666142 0.94 TYMP (0.37) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL1665976 0.94 TYMP (0.37) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL31196681 0.88 KDM4E (0.36) TYMPKDM4E
SCHEMBL14840190 0.87 KDM4E (0.36) TYMPKDM4E
SCHEMBL1665464 0.86 TYMP (0.35) TYMP
SCHEMBL23827212 0.84 KDM4E (0.35) TYMPKDM4E
SCHEMBL18510981 0.84 KDM4E (0.41) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL23138150 0.84 TYMP (0.45) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL18510955 0.84 KDM4E (0.41) TYMPKDM4ETAS1R3TAS1R1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2314594-B1 6-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS INC (US) 2014-07-23 EP disclosed
US-8022193-B2 6-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2011-09-20 US disclosed
EP-2332951-A2 6-modified bicyclic nucleic acid analogs ISIS Pharmaceuticals, Inc. (US) 2011-06-15 EP disclosed
EP-2314594-A1 6-modified bicyclic nucleic acid analogs Isis Pharmaceuticals, Inc. (US) 2011-04-27 EP disclosed
EP-1984381-B1 6-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS ISIS PHARMACEUTICALS INC (US) 2010-09-29 EP disclosed
US-20100216979-A1 6-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS ISIS PHARMACEUTICALS, INC. (US) 2010-08-26 US disclosed
US-7741457-B2 6-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2010-06-22 US disclosed
US-20090012281-A1 6-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS ISIS PHARMACEUTICALS, INC. (US) 2009-01-08 US disclosed
US-7399845-B2 6-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2008-07-15 US disclosed
US-20070249049-A1 6-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS FOUNDATION MEDICINE, INC. 2007-10-25 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 (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-20090012281-A1 6-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS NSUN2, POLRMT, POLM TYMP 93/4885KDM4E 1867/4885TAS1R3 4403/4885
US-20070249049-A1 6-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS NSUN2, POLRMT, POLM TYMP 93/4885KDM4E 1867/4885TAS1R3 4403/4885
US-20100216979-A1 6-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS NSUN2, POLRMT, POLM TYMP 93/4885KDM4E 1867/4885TAS1R3 4403/4885

“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.