SCHEMBL1666142

SCHEMBL1666142

COc1ccc(C(OC[C@]23O[C@@H](n4cnc5c(=O)[nH]c(NC(=O)C(C)C)nc54)[C@H](O[C@H]2C)[C@@H]3OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TYMP P19971 2/20 0.37
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 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
SCHEMBL1665976 1.00 TYMP (0.37) TYMPKDM4EHPGDTAS1R3TAS1R1
SCHEMBL1666138 0.94 TYMP (0.37) TYMPKDM4EHPGDTAS1R3TAS1R1
SCHEMBL1935584 0.94 TYMP (0.37) TYMPKDM4EHPGDTAS1R3TAS1R1
SCHEMBL31196681 0.89 KDM4E (0.36) TYMPKDM4E
SCHEMBL14840190 0.88 KDM4E (0.36) TYMPKDM4E
SCHEMBL1665982 0.86 TYMP (0.34) TYMP
SCHEMBL1667985 0.86 TYMP (0.34) TYMP
SCHEMBL23827212 0.86 KDM4E (0.35) TYMPKDM4E
SCHEMBL210338 0.85 KDM4E (0.36) TYMPKDM4E
SCHEMBL210035 0.85 KDM4E (0.36) TYMPKDM4E

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 1867/4885HPGD 3862/4885
US-20070249049-A1 6-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS NSUN2, POLRMT, POLM TYMP 93/4885KDM4E 1867/4885HPGD 3862/4885
US-20100216979-A1 6-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS NSUN2, POLRMT, POLM TYMP 93/4885KDM4E 1867/4885HPGD 3862/4885

“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.