SCHEMBL22169968

SCHEMBL22169968

NCCCCCCNP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 6/20 0.64
▸ P2RX3 P56373 3/20 0.64
▸ P2RY2 P41231 2/20 0.64
▸ P2RX2 Q9UBL9 2/20 0.64
▸ P2RX1 P51575 2/20 0.64
▸ ALDH1A1 P00352 2/20 0.64
▸ SRC P12931 1/20 0.64
▸ P2RX4 Q99571 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ MACROD2 A1Z1Q3 1/20 0.60
▸ SIRT6 Q8N6T7 1/20 0.60
▸ MACROD1 Q9BQ69 1/20 0.60
▸ TRPM2 O94759 1/20 0.60
▸ GPR17 Q13304 1/20 0.56
▸ TAS1R3 Q7RTX0 1/20 0.56
▸ TAS1R1 Q7RTX1 1/20 0.56

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
SCHEMBL22174629 0.92 P2RY1 (0.77) P2RY1P2RX3P2RY2P2RX2P2RX1
SCHEMBL22184403 0.85 P2RY1 (0.75) P2RY1P2RX3P2RY2P2RX2P2RX1
SCHEMBL1331755 0.84 P2RY1 (0.75) P2RY1P2RX3P2RY2P2RX2P2RX1
SCHEMBL29908846 0.84 P2RY1 (0.75) P2RY1P2RX3P2RY2P2RX2P2RX1
SCHEMBL1331745 0.84 P2RY1 (0.75) P2RY1P2RX3P2RY2P2RX2P2RX1
SCHEMBL163281 0.84 P2RY1 (0.75) P2RY1P2RX3P2RY2P2RX2P2RX1
SCHEMBL5365040 0.84 P2RY1 (0.75) P2RY1P2RX3P2RY2P2RX2P2RX1
SCHEMBL163282 0.84 P2RY1 (0.75) P2RY1P2RX3P2RY2P2RX2P2RX1
SCHEMBL8738522 0.83 P2RX3 (0.82) P2RY1P2RX3P2RY2P2RX2P2RX1
SCHEMBL4217929 0.83 P2RX3 (0.82) P2RY1P2RX3P2RY2P2RX2P2RX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200209256-A1 METHODS AND COMPOSITIONS FOR PROTEIN SEQUENCING Quantum-Si Incorporated (US) 2020-07-02 — — US disclosed
US-20200209253-A1 METHODS AND COMPOSITIONS FOR PROTEIN SEQUENCING Quantum-Si Incorporated (US) 2020-07-02 — — US disclosed
US-20200209254-A1 METHODS AND COMPOSITIONS FOR PROTEIN SEQUENCING Quantum-Si Incorporated (US) 2020-07-02 — — US disclosed
US-20200209255-A1 METHODS AND COMPOSITIONS FOR PROTEIN SEQUENCING Quantum-Si Incorporated (US) 2020-07-02 — — 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-20200209255-A1 METHODS AND COMPOSITIONS FOR PROTEIN SEQUENCING CRYAA, CRYAB, CACYBP P2RY1 3677/4885P2RX3 3266/4885P2RY2 3779/4885

“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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