SCHEMBL7066599

SCHEMBL7066599

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(NC(=O)C(C)C)nc43)[C@H](OCCON(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TYMP P19971 13/20 0.43
KDM4E B2RXH2 1/20 0.39
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
HPGD P15428 1/20 0.32
NT5E P21589 1/20 0.32
HINT1 P49773 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
SCHEMBL30866953 0.96 TYMP (0.44) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL17861001 0.95 TYMP (0.44) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL23138150 0.94 TYMP (0.45) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL668619 0.94 TYMP (0.45) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL12803763 0.94 TYMP (0.43) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL12803769 0.94 TYMP (0.43) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL12964677 0.94 TYMP (0.43) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL16707296 0.94 TYMP (0.43) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL31329389 0.93 KDM4E (0.46) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL25233120 0.93 TYMP (0.42) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6624294-B2 Dissolving nucleoside in solvent to form a solution; cooling; treating with base; warming; reacting with ester to effect alkylation of 2' position of a 2',3'-dihydroxy sugar moiety of a nucleoside ISIS PHARMACEUTICALS, INC. 2003-09-23 US disclosed
US-20030078415-A1 Regioselective synthesis of 2'-O-modified nucleosides IONIS PHARMACEUTICALS, INC. 2003-04-24 US disclosed
US-6403779-B1 DISSOLVING NUCLEOSIDE IN APROTIC SOLVENT, COOLING, TREATING WITH BASE, WARMING MIXTURE, COOLING, REACTING WITH REACTIVE ESTER TO EFFECT ALKYLATION ISIS PHARMACEUTICALS, INC. 2002-06-11 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 (1 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-20030078415-A1 Regioselective synthesis of 2'-O-modified nucleosides NSUN2, NT5C3B, RNGTT TYMP 34/4885KDM4E 2034/4885TAS1R3 4469/4885

“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.