SCHEMBL31539949

SCHEMBL31539949

N#C[C@@]1(c2csc3c(N)ncnc23)O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ P2RX1 P51575 4/20 0.44
▸ P2RX3 P56373 4/20 0.44
▸ P2RX2 Q9UBL9 2/20 0.44
▸ P2RX4 Q99571 3/20 0.43
▸ RNASEL Q05823 2/20 0.42
▸ P2RY1 P47900 5/20 0.42
▸ P2RY2 P41231 2/20 0.42
▸ SRC P12931 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ENTPD1 P49961 1/20 0.41

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
SCHEMBL31539951 0.80 HIF1A (0.41) SMN1; SMN2
SCHEMBL17453498 0.76 P2RY2 (0.41) P2RX1P2RX3P2RX2RNASELP2RY1
Rdv-Tp SCHEMBL10120881 0.75 POLRMT (0.51) P2RX1P2RX3P2RX2P2RX4RNASEL
Rdv-Tp SCHEMBL26003192 0.75 POLRMT (0.51) P2RX1P2RX3P2RX2P2RX4RNASEL
Rdv-Tp SCHEMBL23278555 0.75 POLRMT (0.51) P2RX1P2RX3P2RX2P2RX4RNASEL
Rdv-Tp SCHEMBL24492745 0.75 POLRMT (0.51) P2RX1P2RX3P2RX2P2RX4RNASEL
Rdv-Tp SCHEMBL24492746 0.75 POLRMT (0.51) P2RX1P2RX3P2RX2P2RX4RNASEL
SCHEMBL25821559 0.74 RNASEL (0.42) P2RX1P2RX3P2RX2P2RX4RNASEL
SCHEMBL25821565 0.74 RNASEL (0.42) P2RX1P2RX3P2RX2P2RX4RNASEL
SCHEMBL25826041 0.74 RNASEL (0.42) P2RX1P2RX3P2RX2P2RX4RNASEL

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-20250109157-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2025-04-03 — — 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-20250109157-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS HAVCR2, GOT1, GOT2 P2RX1 2064/4885P2RX3 2192/4885P2RX2 2259/4885

“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.

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