SCHEMBL5977841

SCHEMBL5977841

CCCCCCNO[C@H]1[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYMP P19971 3/20 0.47
P2RY14 Q15391 4/20 0.44
P2RY2 P41231 3/20 0.41
P2RY12 Q9H244 2/20 0.41
P2RY6 Q15077 4/20 0.40
P2RY1 P47900 1/20 0.40
SLC28A1 O00337 1/20 0.39
SLC28A2 O43868 1/20 0.39
SLC29A1 Q99808 1/20 0.39
SLC28A3 Q9HAS3 1/20 0.39

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
SCHEMBL5977396 0.95 TYMP (0.47) TYMPP2RY14P2RY2P2RY12P2RY6
SCHEMBL26359837 0.90 TYMP (0.48) TYMPP2RY14P2RY2P2RY12P2RY6
SCHEMBL5982553 0.88 P2RY2 (0.39) P2RY14P2RY2P2RY12P2RY6P2RY1
SCHEMBL30733465 0.88 TYMP (0.46) TYMPP2RY14P2RY2P2RY12P2RY6
SCHEMBL30733453 0.88 TYMP (0.46) TYMPP2RY14P2RY2P2RY12P2RY6
SCHEMBL10592428 0.87 TYMP (0.53) TYMPP2RY14P2RY2P2RY6SLC28A1
SCHEMBL13589363 0.86 TYMP (0.53) TYMPP2RY14P2RY2P2RY6SLC28A1
SCHEMBL4387787 0.86 TYMP (0.53) TYMPP2RY14P2RY2P2RY6SLC28A1
SCHEMBL6930639 0.86 TYMP (0.48) TYMPP2RY14P2RY2P2RY12P2RY6
SCHEMBL31093241 0.86 TYMP (0.48) TYMPP2RY14P2RY2P2RY12P2RY6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037646-B1 Amine-derivatized nucleosides and oligonucleosides ISIS PHARMACEUTICALS, INC. (US) 2006-05-02 US disclosed
US-6900297-B1 Amine-derivatized nucleosides and oligonucleosides ISIS PHARMACEUTICALS, INC. (US) 2005-05-31 US disclosed
EP-1487855-A2 METHOD OF USING MODIFIED OLIGONUCLEOTIDES FOR HEPATIC DELIVERY ISIS Pharmaceuticals, Inc. (US) 2004-12-22 EP disclosed
US-6783931-B1 FOR IMPROVED TRANSFER ACROSS CELLULAR MEMBRANES; FOR RESEARCH AND DIAGNOSTICS ISIS PHARMACEUTICALS, INC. 2004-08-31 US disclosed
US-20040142899-A1 Compositions and methods for enhanced biostability and altered biodistribution of oligonucleotides in mammals ISIS PHARMACEUTICALS, INC. (US) 2004-07-22 US disclosed
US-6753423-B1 FOR PREFERENTIALLY MODULATED GENE EXPRESSION IN LIVER AND ASSOCIATED TISSUES ISIS PHARMACEUTICALS, INC. 2004-06-22 US disclosed
US-6653458-B1 Phosphodiester or phosphorothioate internucleotide linkages at 2',5' positions; substituents at 3'; nuclease resistance and increased binding affinity; use as antisense agents ISIS PHARMACEUTICALS, INC. 2003-11-25 US disclosed
US-20030191075-A1 Method of using modified oligonucleotides for hepatic delivery ISIS PHARMACEUTICALS, INC. 2003-10-09 US disclosed
WO-2003072711-A2 METHOD OF USING MODIFIED OLIGONUCLEOTIDES FOR HEPATIC DELIVERY ISIS PHARMACEUTICALS, INC. (US) 2003-09-04 WO disclosed
EP-0728139-B1 AMINE-DERIVATIZED NUCLEOSIDES AND OLIGONUCLEOSIDES ISIS PHARMACEUTICALS INC (US) 2003-08-13 EP disclosed
EP-0728139-A1 AMINE-DERIVATIZED NUCLEOSIDES AND OLIGONUCLEOSIDES ISIS PHARMACEUTICALS, INC. (US) 1996-08-28 EP disclosed
WO-1995006659-A1 AMINE-DERIVATIZED NUCLEOSIDES AND OLIGONUCLEOSIDES ISIS PHARMACEUTICALS, INC. (US) 1995-03-09 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 (2 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-20040142899-A1 Compositions and methods for enhanced biostability and altered biodistribution of oligonucleotides in mammals FABP1, RNASE1, RNGTT TYMP 20/4885P2RY14 3099/4885P2RY2 2930/4885
US-20030191075-A1 Method of using modified oligonucleotides for hepatic delivery FABP1, DCLRE1B, SLC10A1 TYMP 219/4885P2RY14 4246/4885P2RY2 4396/4885

“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.