SCHEMBL6419737

SCHEMBL6419737

CCCCCN[C@@]1(O)[C@H](O)[C@@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)O[C@H]1n1ccc(=O)[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TYMP P19971 2/20 0.42
P2RY2 P41231 1/20 0.38
P2RY4 P51582 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
DUT P33316 3/20 0.37
P2RY14 Q15391 1/20 0.37
NT5E P21589 1/20 0.36
POLA1 P09884 1/20 0.35

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
SCHEMBL5978909 0.99 TYMP (0.42) TYMPP2RY2P2RY4CYP3A4CYP2C9
SCHEMBL5978913 0.87 P2RY2 (0.36) P2RY2P2RY4CYP3A4CYP2C9DUT
SCHEMBL31467681 0.84 CYP3A4 (0.41) TYMPP2RY2P2RY4CYP3A4CYP2C9
SCHEMBL13575501 0.84 P2RY2 (0.54) TYMPP2RY2P2RY4CYP3A4CYP2C9
SCHEMBL21905172 0.83 TYMP (0.45) TYMPP2RY2P2RY4CYP3A4CYP2C9
SCHEMBL13837115 0.83 TYMP (0.45) TYMPP2RY2P2RY4CYP3A4CYP2C9
SCHEMBL31467672 0.83 TYMP (0.45) TYMPP2RY2P2RY4CYP3A4CYP2C9
SCHEMBL5977396 0.82 TYMP (0.47) TYMPP2RY2P2RY4P2RY14
SCHEMBL19185368 0.82 CYP3A4 (0.52) TYMPP2RY2P2RY4CYP3A4CYP2C9
SCHEMBL12701331 0.82 TYMP (0.45) TYMPP2RY2P2RY4CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171048-A1 Nuclease activity resistance; mixed sequence oligonucleotides containing purine or pyrimidine base in beta anomeric configuration; drug delivery agents; targeting specific DNA and/or RNA sequences ISIS PHARMACEUTICALS, INC. (US) 2005-08-04 US disclosed
US-6911540-B2 2′ Modified oligonucleotides ISIS PHARMACEUTICALS, INC. (US) 2005-06-28 US disclosed
EP-0942000-B1 2'-Modified oligonucleotides ISIS PHARMACEUTICALS INC (US) 2004-06-23 EP disclosed
US-20030036649-A1 2' modified oligonucleotides ISIS PHARMACEUTICALS, INC. 2003-02-20 US disclosed
US-6476205-B1 2′ Modified oligonucleotides ISIS PHARMACEUTICALS, INC. 2002-11-05 US disclosed
EP-0497875-B1 2' MODIFIED OLIGONUCLEOTIDES ISIS PHARMACEUTICALS INC (US) 2000-03-22 EP disclosed
EP-0942000-A2 2'Modified oligonucleotides ISIS PHARMACEUTICALS, INC. (US) 1999-09-15 EP disclosed
US-5792847-A ANTISENSE AGENTS, ANTISENSE THERAPY; ANTITUMOR AGENTS GILEAD SCIENCES, INC. (US) 1998-08-11 US disclosed
US-5466786-A Drug delivery GILEAD SCIENCES (US) 1995-11-14 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 (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-20030036649-A1 2' modified oligonucleotides DCLRE1B, POLRMT, POLM TYMP 10/4885P2RY2 2304/4885P2RY4 3600/4885
US-20050171048-A1 Nuclease activity resistance; mixed sequence oligonucleotides containing purine or pyrimidine base in beta anomeric configuration; drug delivery agents; targeting specific DNA and/or RNA sequences ADAR, POLM, POLRMT TYMP 14/4885P2RY2 587/4885P2RY4 809/4885

“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.