SCHEMBL14946384

SCHEMBL14946384

O=C(NCCCOCCOCCOCCOCCOCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(Cl)Cl)[C@H](O)C1O)C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.58
P2RX2 Q9UBL9 2/20 0.58
DNPH1 O43598 2/20 0.53
TAS1R3 Q7RTX0 1/20 0.53
TAS1R1 Q7RTX1 1/20 0.53
ADORA1 P30542 8/20 0.52
ADORA3 P0DMS8 2/20 0.51
NT5E P21589 2/20 0.51
SLC29A1 Q99808 1/20 0.51
P2RY12 Q9H244 1/20 0.50
ADORA2A P29274 1/20 0.49
ADORA2B P29275 1/20 0.49
P2RY1 P47900 1/20 0.49

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
SCHEMBL14929351 1.00 P2RX3 (0.58) P2RX3P2RX2DNPH1TAS1R3TAS1R1
SCHEMBL14946398 0.91 P2RX3 (0.73) P2RX3P2RX2DNPH1TAS1R3TAS1R1
SCHEMBL14929323 0.91 P2RX3 (0.73) P2RX3P2RX2DNPH1TAS1R3TAS1R1
SCHEMBL14946385 0.89 SLC29A1 (0.64) ADORA1ADORA3SLC29A1ADORA2A
SCHEMBL14853952 0.89 SLC29A1 (0.64) ADORA1ADORA3SLC29A1ADORA2A
SCHEMBL11267406 0.89 P2RX3 (0.65) P2RX3P2RX2DNPH1TAS1R3TAS1R1
SCHEMBL14853949 0.88 P2RX3 (0.67) P2RX3P2RX2DNPH1TAS1R3TAS1R1
SCHEMBL14948866 0.84 P2RX3 (0.66) P2RX3P2RX2DNPH1TAS1R3TAS1R1
SCHEMBL91052 0.83 SLC29A1 (0.58) P2RX3P2RX2ADORA1ADORA3SLC29A1
SCHEMBL15305350 0.83 P2RX3 (0.67) P2RX3P2RX2DNPH1TAS1R3TAS1R1

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-20130123481-A1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF modeRNA Therapeutics (US) 2013-05-16 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-20130123481-A1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF ADAR, NT5C3B, NSUN2 P2RX3 736/4885P2RX2 904/4885DNPH1 467/4885

“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.