SCHEMBL17601834

SCHEMBL17601834

CC(C)OC(=O)[C@H](C)NP(=O)(Oc1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.49
▸ CA2 P00918 2/20 0.49
▸ CES2 O00748 1/20 0.49
▸ CES1 P23141 1/20 0.49
▸ MAPT P10636 4/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ HTT P42858 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ BTN3A1 O00481 3/20 0.44
▸ BCHE P06276 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.43
▸ LMNA P02545 3/20 0.43
▸ TP53 P04637 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43

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
SCHEMBL851467 0.96 BTN3A1 (0.48) CA1CA2CES2CES1MAPT
SCHEMBL15457700 0.96 BTN3A1 (0.48) CA1CA2CES2CES1MAPT
SCHEMBL20059213 0.96 BTN3A1 (0.48) CA1CA2CES2CES1MAPT
SCHEMBL13051654 0.96 BTN3A1 (0.48) CA1CA2CES2CES1MAPT
SCHEMBL15588696 0.96 BTN3A1 (0.48) CA1CA2CES2CES1MAPT
SCHEMBL28842286 0.96 BTN3A1 (0.48) CA1CA2CES2CES1MAPT
SCHEMBL850882 0.96 BTN3A1 (0.48) CA1CA2CES2CES1MAPT
SCHEMBL851091 0.96 BTN3A1 (0.48) CA1CA2CES2CES1MAPT
SCHEMBL30770532 0.95 CA1 (0.45) CA1CA2CES2CES1MAPT
SCHEMBL30770430 0.95 KMT2A (0.47) CA1CA2CES2CES1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240366649-A1 4-ETHYNYL-3-HYDROXY-TETRAHYDROFURANYL-ADENINE PHOSPHORAMIDATES AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS ROME THERAPEUTICS, INC. 2024-11-07 — — US disclosed
EP-4358968-A1 4-ETHYNYL-3-HYDROXY-TETRAHYDROFURANYL-ADENINE PHOSPHORAMIDATES AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS Rome Therapeutics, Inc. (US) 2024-05-01 — — EP disclosed
WO-2022271878-A1 4-ETHYNYL-3-HYDROXY-TETRAHYDROFURANYL-ADENINE PHOSPHORAMIDATES AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS ROME THERAPEUTICS, INC. (US) 2022-12-29 — — WO disclosed
US-20160083413-A1 2'-CHLORO NUCLEOSIDE ANALOGS FOR HCV INFECTION IDENIX PHARMACEUTICALS LLC 2016-03-24 — — US disclosed
US-20160083413-A1 2'-CHLORO NUCLEOSIDE ANALOGS FOR HCV INFECTION IDENIX PHARMACEUTICALS LLC 2016-03-24 — — 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 (2 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-20240366649-A1 4-ETHYNYL-3-HYDROXY-TETRAHYDROFURANYL-ADENINE PHOSPHORAMIDATES AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS HPRT1, DTYMK, POLI CA1 4634/4885CA2 4562/4885CES2 2599/4885
US-20160083413-A1 2'-CHLORO NUCLEOSIDE ANALOGS FOR HCV INFECTION SLC28A2, SLC28A1, SLC29A2 CA1 4616/4885CA2 3286/4885CES2 245/4885

“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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