SCHEMBL16351392

SCHEMBL16351392

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)OP(O)(O)=S)C(O)[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 6/20 1.00
▸ P2RX1 P51575 3/20 0.86
▸ P2RX3 P56373 3/20 0.86
▸ TSHR P16473 1/20 0.82
▸ KDM4E B2RXH2 1/20 0.82
▸ LMNA P02545 1/20 0.82
▸ BLM P54132 1/20 0.82
▸ PLCG1 P19174 1/20 0.81
▸ NT5E P21589 1/20 0.81
▸ P2RY11 Q96G91 2/20 0.79
▸ P2RY1 P47900 6/20 0.78
▸ P2RY2 P41231 3/20 0.78
▸ ALDH1A1 P00352 2/20 0.78
▸ SRC P12931 2/20 0.78
▸ SMN1; SMN2 Q16637 2/20 0.78
▸ P2RX4 Q99571 1/20 0.78
▸ P2RX2 Q9UBL9 1/20 0.78
▸ TRPM2 O94759 2/20 0.75
▸ DNPH1 O43598 1/20 0.75
▸ PRKAB2 O43741 1/20 0.75

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
SCHEMBL21362894 1.00 ENPP1 (1.00) ENPP1P2RX1P2RX3TSHRKDM4E
SCHEMBL22918310 1.00 ENPP1 (1.00) ENPP1P2RX1P2RX3TSHRKDM4E
SCHEMBL29941042 0.94 ENPP1 (0.90) ENPP1P2RX1P2RX3TSHRKDM4E
SCHEMBL16674879 0.94 ENPP1 (0.92) ENPP1P2RX1P2RX3TSHRKDM4E
SCHEMBL18351578 0.94 ENPP1 (0.92) ENPP1P2RX1P2RX3TSHRKDM4E
Diphosphomethylphosphonic Acid Adenosyl Ester SCHEMBL2345274 0.93 ENPP1 (1.00) ENPP1P2RX1P2RX3TSHRKDM4E
Diphosphomethylphosphonic Acid Adenosyl Ester SCHEMBL29428268 0.93 ENPP1 (1.00) ENPP1P2RX1P2RX3TSHRKDM4E
SCHEMBL21362946 0.91 ENPP1 (0.86) ENPP1P2RX1P2RX3TSHRKDM4E
Atpgammas SCHEMBL77440 0.90 P2RY1 (0.93) ENPP1P2RX1P2RX3P2RY11P2RY1
SCHEMBL16674886 0.90 P2RX1 (0.93) ENPP1P2RX1P2RX3TSHRKDM4E

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-20140378408-A1 NUCLEOSIDE 5'-PHOSPHOROTHIOATE ANALOGUES AND USES THEREOF BAR ILAN UNIVERSITY AN ISRAELI UNIVERSITY (IL) 2014-12-25 — — US disclosed
US-20140378408-A1 NUCLEOSIDE 5'-PHOSPHOROTHIOATE ANALOGUES AND USES THEREOF BAR ILAN UNIVERSITY AN ISRAELI UNIVERSITY (IL) 2014-12-25 — — 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-20140378408-A1 NUCLEOSIDE 5'-PHOSPHOROTHIOATE ANALOGUES AND USES THEREOF CCL2, NUDT1, CXCL12 ENPP1 74/4885P2RX1 111/4885P2RX3 110/4885

“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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