SCHEMBL784542

SCHEMBL784542

CC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@H](OC(=O)c2ccccc2)[C@@H]1C

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.55
TAS1R1 Q7RTX1 1/20 0.55
HINT1 P49773 7/20 0.52
GSK3A P49840 2/20 0.51
RPS6KA3 P51812 2/20 0.51
MAPK14 Q16539 2/20 0.51
PNP P00491 1/20 0.51
TAAR1 Q96RJ0 2/20 0.51
HPGD P15428 1/20 0.48
P2RY11 Q96G91 1/20 0.47
NT5E P21589 1/20 0.46
P2RX3 P56373 1/20 0.45
P2RX4 Q99571 1/20 0.45
P2RX2 Q9UBL9 1/20 0.45
TGM2 P21980 1/20 0.43
FUT5 Q11128 1/20 0.43

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
SCHEMBL26808474 1.00 TAS1R3 (0.55) TAS1R3TAS1R1HINT1GSK3ARPS6KA3
SCHEMBL16866669 0.93 TAS1R3 (0.55) TAS1R3TAS1R1HINT1GSK3ARPS6KA3
SCHEMBL784394 0.92 TAS1R3 (0.55) TAS1R3TAS1R1HINT1GSK3ARPS6KA3
SCHEMBL26808255 0.88 HINT1 (0.52) TAS1R3TAS1R1HINT1GSK3ARPS6KA3
SCHEMBL26808390 0.88 HINT1 (0.52) TAS1R3TAS1R1HINT1GSK3ARPS6KA3
SCHEMBL16870493 0.87 TAS1R3 (0.57) TAS1R3TAS1R1HINT1GSK3ARPS6KA3
SCHEMBL26808568 0.86 HINT1 (0.51) TAS1R3TAS1R1HINT1GSK3ARPS6KA3
SCHEMBL794488 0.86 TAS1R3 (0.55) TAS1R3TAS1R1HINT1GSK3ARPS6KA3
SCHEMBL25505210 0.86 TAS1R3 (0.44) TAS1R3TAS1R1HINT1GSK3ARPS6KA3
SCHEMBL29972968 0.85 TAS1R3 (0.62) TAS1R3TAS1R1HINT1GSK3ARPS6KA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160264610-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA INC (US) 2016-09-15 US disclosed
US-9346848-B2 Azido nucleosides and nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2016-05-24 US disclosed
US-20150183819-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. 2015-07-02 US disclosed
US-8877731-B2 Azido nucleosides and nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2014-11-04 US disclosed
US-20120070415-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-22 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-20160264610-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS PNP, ADA, ADAR TAS1R3 2640/4885TAS1R1 2363/4885HINT1 121/4885
US-20120070415-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS PNP, ADA, ADAR TAS1R3 2640/4885TAS1R1 2363/4885HINT1 121/4885
US-20150183819-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS PNP, ADA, ADAR TAS1R3 2640/4885TAS1R1 2363/4885HINT1 121/4885

“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.