SCHEMBL6443389

SCHEMBL6443389

CCCCCC(OC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](OC)[C@@H]1OP(OCCC#N)N(C(C)C)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.37
TYMP P19971 1/20 0.36
TAAR1 Q96RJ0 2/20 0.34
HINT1 P49773 7/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
XDH P47989 1/20 0.32

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
SCHEMBL1582963 0.89 TRDMT1 (0.34) TYMP
SCHEMBL2108084 0.84 HPGD (0.38) HPGDTYMPTAAR1HINT1TAS1R3
SCHEMBL6429042 0.83 TYMP (0.47) HPGDTYMPTAAR1HINT1TAS1R3
SCHEMBL2107681 0.82 HPGD (0.37) HPGDTYMPTAAR1HINT1TAS1R3
SCHEMBL1583282 0.82 NNMT (0.33) TYMP
SCHEMBL15878701 0.81 HPGD (0.36) HPGDTYMPTAAR1HINT1TAS1R3
SCHEMBL2215519 0.80 HPGD (0.35) HPGDTYMPTAAR1HINT1TAS1R3
SCHEMBL5408372 0.79 TYMP (0.37) HPGDTYMPTAAR1HINT1TAS1R3
SCHEMBL15302162 0.78 TYMP (0.44) HPGDTYMPTAAR1HINT1TAS1R3
SCHEMBL16131333 0.78 TYMP (0.44) HPGDTYMPTAAR1HINT1TAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059817-A1 Methods for synthesizing nucleosides, nucleoside derivatives and non-nucleoside derivatives SIRNA THERAPEUTICS, INC. (US) 2005-03-17 US disclosed
US-6686463-B2 FEWER SYNTHETIC STEPS; INVOLVES FORMATION OF A 5',4'-BRIDGING SILYL PROTECTING GROUP TO FORM A FUSED SILOXANE ON THE FURAN RING SIRNA THERAPEUTICS, INC. 2004-02-03 US disclosed
US-20020150936-A1 Methods for synthesizing nucleosides, nucleoside derivatives and non-nucleoside derivatives RIBOZYME PHARMACEUTICALS, INC. 2002-10-17 US disclosed
US-20020120129-A1 Methods for synthesizing nucleosides, nucleoside derivatives and non-nucleoside derivatives RIBOZYME PHARMACEUTICALS, INC. 2002-08-29 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-20050059817-A1 Methods for synthesizing nucleosides, nucleoside derivatives and non-nucleoside derivatives PNP, NSUN2, NT5C3B HPGD 1962/4885TYMP 16/4885TAAR1 4380/4885
US-20020120129-A1 Methods for synthesizing nucleosides, nucleoside derivatives and non-nucleoside derivatives PNP, NSUN2, NT5C3B HPGD 1769/4885TYMP 17/4885TAAR1 4507/4885
US-20020150936-A1 Methods for synthesizing nucleosides, nucleoside derivatives and non-nucleoside derivatives PNP, NSUN2, NT5C3B HPGD 2082/4885TYMP 14/4885TAAR1 4278/4885

“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.