SCHEMBL17599795

SCHEMBL17599795

COc1ccc(C(OC(C(=O)C(C)C)[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)C[C@@H]2OP(=O)(OCCCO[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TYMP P19971 1/20 0.35
HINT1 P49773 2/20 0.34
F2 P00734 2/20 0.34
P2RY2 P41231 1/20 0.34
P2RY4 P51582 1/20 0.34
P2RY6 Q15077 1/20 0.34
KRAS P01116 6/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.33
POLB P06746 1/20 0.33
FUT5 Q11128 1/20 0.33
GSK3A P49840 1/20 0.32
RPS6KA3 P51812 1/20 0.32
MAPK14 Q16539 1/20 0.32
NT5E P21589 1/20 0.32
TAAR1 Q96RJ0 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
SCHEMBL17599876 0.95 TAS1R3 (0.35) TAS1R3TAS1R1TYMPHINT1F2
SCHEMBL17599877 0.94 TAS1R3 (0.35) TAS1R3TAS1R1TYMPHINT1F2
SCHEMBL17599829 0.91 TAS1R3 (0.34) TAS1R3TAS1R1TYMPHINT1F2
SCHEMBL17599894 0.91 TAS1R3 (0.34) TAS1R3TAS1R1TYMPHINT1F2
SCHEMBL17599835 0.89 TAS1R3 (0.34) TAS1R3TAS1R1TYMPHINT1F2
SCHEMBL17599907 0.86 P2RX3 (0.38) POLB
SCHEMBL17599887 0.85 TAS1R3 (0.34) TAS1R3TAS1R1TYMPHINT1F2
SCHEMBL17599875 0.85 TAS1R3 (0.34) TAS1R3TAS1R1TYMPHINT1F2
SCHEMBL17599826 0.85 TAS1R3 (0.34) TAS1R3TAS1R1TYMPHINT1F2
SCHEMBL17599827 0.85 P2RX3 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160083414-A1 PHOSPHORAMIDITE BUILDING BLOCKS FOR SUGAR-CONJUGATED OLIGONUCLEOTIDES AM CHEMICALS LLC (US) 2016-03-24 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-20160083414-A1 PHOSPHORAMIDITE BUILDING BLOCKS FOR SUGAR-CONJUGATED OLIGONUCLEOTIDES DERA, TYMP, PAICS TAS1R3 4388/4885TAS1R1 4313/4885TYMP 2/4885

“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.