SCHEMBL7067402

SCHEMBL7067402

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]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TYMP P19971 12/20 0.55
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
KDM4E B2RXH2 1/20 0.42
NT5E P21589 1/20 0.40
HINT1 P49773 1/20 0.39
ADORA1 P30542 1/20 0.38
IMPDH2 P12268 1/20 0.38
IMPDH1 P20839 1/20 0.38

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
SCHEMBL7067407 1.00 TYMP (0.55) TYMPTAS1R3TAS1R1KDM4ENT5E
SCHEMBL19362154 0.94 TYMP (0.57) TYMPTAS1R3TAS1R1KDM4ENT5E
SCHEMBL22408781 0.94 TYMP (0.57) TYMPTAS1R3TAS1R1KDM4ENT5E
SCHEMBL29531573 0.94 TYMP (0.57) TYMPTAS1R3TAS1R1KDM4ENT5E
SCHEMBL3313773 0.92 TYMP (0.60) TYMPTAS1R3TAS1R1KDM4ENT5E
SCHEMBL1582054 0.92 TYMP (0.60) TYMPTAS1R3TAS1R1KDM4ENT5E
SCHEMBL19509735 0.90 TYMP (0.55) TYMPTAS1R3TAS1R1KDM4ENT5E
SCHEMBL6396439 0.90 TYMP (0.55) TYMPTAS1R3TAS1R1KDM4ENT5E
SCHEMBL21574248 0.90 TYMP (0.55) TYMPTAS1R3TAS1R1KDM4ENT5E
SCHEMBL17860998 0.90 TYMP (0.55) TYMPTAS1R3TAS1R1KDM4ENT5E

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 34/4885TAS1R3 4469/4885TAS1R1 4761/4885

“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.