SCHEMBL12714596

SCHEMBL12714596

Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)CC2OP(=O)(O)OP(=O)(O)O)c(=O)[nH]1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT5 Q11128 1/20 0.66
▸ TGM2 P21980 1/20 0.57
▸ POLB P06746 2/20 0.56
▸ P2RY6 Q15077 2/20 0.53
▸ P2RY2 P41231 1/20 0.53
▸ P2RY4 P51582 1/20 0.53
▸ NT5E P21589 1/20 0.53
▸ KRAS P01116 2/20 0.52
▸ PNP P00491 1/20 0.52
▸ POLG P54098 2/20 0.51
▸ DCPS Q96C86 1/20 0.49
▸ HPRT1 P00492 1/20 0.48
▸ ENPP1 P22413 2/20 0.47
▸ P2RY1 P47900 2/20 0.47
▸ P2RY12 Q9H244 1/20 0.47
▸ TAS1R3 Q7RTX0 1/20 0.47
▸ TAS1R1 Q7RTX1 1/20 0.47
▸ P2RX1 P51575 1/20 0.47
▸ P2RX3 P56373 1/20 0.47
▸ P2RY11 Q96G91 1/20 0.47

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
SCHEMBL12714572 0.97 FUT5 (0.61) FUT5TGM2POLBP2RY6P2RY2
SCHEMBL11894950 0.92 FUT5 (0.59) FUT5TGM2POLBP2RY6P2RY2
SCHEMBL22475042 0.90 FUT5 (0.64) FUT5TGM2POLBP2RY6P2RY2
SCHEMBL16647503 0.90 FUT5 (0.64) FUT5TGM2POLBP2RY6P2RY2
SCHEMBL15833359 0.90 FUT5 (0.64) FUT5TGM2POLBP2RY6P2RY2
SCHEMBL23584319 0.90 FUT5 (0.64) FUT5TGM2POLBP2RY6P2RY2
Deoxy Adenosinediphosphate SCHEMBL5827743 0.90 TGM2 (0.63) FUT5TGM2POLBP2RY6P2RY2
Deoxy Adenosinediphosphate SCHEMBL5827749 0.90 TGM2 (0.63) FUT5TGM2POLBP2RY6P2RY2
SCHEMBL1913809 0.89 TGM2 (0.62) FUT5TGM2POLBP2RY6P2RY2
SCHEMBL25712474 0.89 TGM2 (0.62) FUT5TGM2POLBP2RY6P2RY2

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-20110086813-A1 COMPOUNDS FOR TREATING BACTERIAL INFECTIONS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2011-04-14 — — US disclosed
US-20110086813-A1 COMPOUNDS FOR TREATING BACTERIAL INFECTIONS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2011-04-14 — — 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-20110086813-A1 COMPOUNDS FOR TREATING BACTERIAL INFECTIONS REL, RELA, NFKB1 FUT5 1680/4885TGM2 1523/4885POLB 425/4885

“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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