SCHEMBL13415717

SCHEMBL13415717

CCOP(=O)(/C=C/[C@@H]1CC[C@H](n2nnc3c(=O)[nH]c(N)nc32)O1)OCC

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 11/20 0.39
▸ PDE5A O76074 1/20 0.35
▸ PDE1A P54750 1/20 0.35
▸ PDE1B Q01064 1/20 0.35
▸ PDE1C Q14123 1/20 0.35
▸ POLB P06746 1/20 0.33
▸ NT5E P21589 1/20 0.33
▸ FUT5 Q11128 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPRT1 P00492 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HINT1 P49773 1/20 0.31

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
SCHEMBL13396477 0.76 TLR7 (0.39) PNPPDE5APDE1APDE1BPDE1C
SCHEMBL20326990 0.74 PNP (0.46) PNPPOLBNT5EHPRT1
SCHEMBL20324724 0.73 PNP (0.45) PNPPOLBNT5EFUT5HPRT1
SCHEMBL13082345 0.72 PNP (0.51) PNPPOLBHPRT1
SCHEMBL20324643 0.72 ALDH1A1 (0.45) PNPALDH1A1
SCHEMBL20324565 0.72 PNP (0.43) PNPPOLBNT5EFUT5HPRT1
SCHEMBL14149897 0.69 ADK (0.45) —
SCHEMBL3313798 0.68 PNP (0.40) PNPPOLBNT5EHPRT1
SCHEMBL3313805 0.68 PNP (0.40) PNPPOLBNT5EHPRT1
SCHEMBL13396453 0.68 PNP (0.40) PNPPOLBNT5EHPRT1

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-8324179-B2 Nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2012-12-04 — — US disclosed
US-20100104532-A1 NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2010-04-29 — — 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-20100104532-A1 NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT SLC29A1, NUDT1, EIF2AK2 PNP 4/4885PDE5A 2307/4885PDE1A 4735/4885

“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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