SCHEMBL16575673

SCHEMBL16575673

C[C@H]1C(O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1ccc(N)nc1=S

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 18/20 0.66
P2RY4 P51582 9/20 0.66
P2RY6 Q15077 5/20 0.53

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
SCHEMBL24371631 1.00 P2RY2 (0.66) P2RY2P2RY4P2RY6
SCHEMBL24372005 1.00 P2RY2 (0.66) P2RY2P2RY4P2RY6
SCHEMBL17971911 1.00 P2RY2 (0.66) P2RY2P2RY4P2RY6
SCHEMBL24371531 1.00 P2RY2 (0.66) P2RY2P2RY4P2RY6
SCHEMBL17972336 0.92 P2RY2 (0.75) P2RY2P2RY4P2RY6
SCHEMBL21418842 0.92 P2RY2 (0.75) P2RY2P2RY4P2RY6
SCHEMBL15810740 0.92 P2RY2 (0.75) P2RY2P2RY4P2RY6
SCHEMBL624628 0.92 P2RY2 (0.75) P2RY2P2RY4P2RY6
SCHEMBL21418843 0.92 P2RY2 (0.75) P2RY2P2RY4P2RY6
SCHEMBL3502990 0.92 P2RY2 (0.75) P2RY2P2RY4P2RY6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160220595-A1 NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO DEFENSE THREAT REDUCTION AGENCY, US DOD 2016-08-04 US disclosed
WO-2015038596-A1 NUCLEOTIDE AND NUCLEOSIDE COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2015-03-19 WO 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-20160220595-A1 NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO PNP, NTPCR, TYMP P2RY2 452/4885P2RY4 288/4885P2RY6 371/4885

“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.