SCHEMBL5435997

SCHEMBL5435997

Nc1nc(Cl)c2ncn([C@@H]3CO[C@H](COC(=O)c4ccccc4)O3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 2/20 0.41
▸ HINT1 P49773 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ HDAC1 Q13547 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ STING1 Q86WV6 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ PNP P00491 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ RPS6KA3 P51812 1/20 0.36

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
SCHEMBL6788532 1.00 NT5E (0.41) NT5EHINT1CYP1A2HDAC1LMNA
SCHEMBL5216981 1.00 NT5E (0.41) NT5EHINT1CYP1A2HDAC1LMNA
SCHEMBL9202661 1.00 NT5E (0.41) NT5EHINT1CYP1A2HDAC1LMNA
SCHEMBL5216986 1.00 NT5E (0.41) NT5EHINT1CYP1A2HDAC1LMNA
SCHEMBL5425043 1.00 NT5E (0.41) NT5EHINT1CYP1A2HDAC1LMNA
SCHEMBL14023347 1.00 NT5E (0.41) NT5EHINT1CYP1A2HDAC1LMNA
SCHEMBL14023346 0.93 HINT1 (0.42) HINT1CYP1A2LMNASTING1ALDH1A1
SCHEMBL14581405 0.92 HINT1 (0.49) NT5EHINT1CYP1A2STING1
SCHEMBL5217050 0.90 HINT1 (0.40) HINT1CYP1A2LMNASTING1PNP
SCHEMBL14023348 0.90 HINT1 (0.40) HINT1CYP1A2LMNASTING1PNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070037977-A1 Substituted-1, 3-oxathiolanes and substituted-1, 3-dioxolanes with antiviral properties BELLEAU BERNARD 2007-02-15 — — US disclosed
US-20070037975-A1 Substituted-1,3-oxathiolanes and substituted-1, 3-dioxolanes with antiviral properties BELLEAU BERNARD 2007-02-15 — — US disclosed
US-7122693-B2 Acetaldehyde acetal compounds, their synthesis, and uses thereof SHIRE BIOCHEM INC. (CA) 2006-10-17 — — US disclosed
US-7119202-B1 Substituted-1,3-oxathiolanes and substituted-1,3-dioxolanes with antiviral properties GLAXO WELLCOME INC. (US) 2006-10-10 — — US disclosed
US-6903224-B2 Substituted 1,3-oxathiolanes BIOCHEM PHARMA INC. (CA) 2005-06-07 — — US disclosed
US-20040254201-A1 Substituted-1,3-oxathiolanes and substituted-1,3-dioxolanes with antiviral properties BELLEAU BERNARD (CA) 2004-12-16 — — US disclosed
US-20030087918-A1 Synthesis of substituted 1,3-dioxolanes and substituted 1,3-oxathiolanes with antiviral properties BIOCHEM PHARMA INC. (CA) 2003-05-08 — — US disclosed
US-6350753-B1 2-ACETOXYMETHYL-4-(THYMIN-1'-YL)-1,3,-DIOXOLANE; 2-BENZOYLOXYMETHYL-4-(CYTOSIN-1'-YL)-1,3-DIOXOLANE; ANTIVIRAL AGENTS, PARTICULARY FOR THE TREATMENT OF THE HIV INFECTIONS IN MAMMALS, ESPECIALLY HUMANS BIOCHEM PHARMA INC. (CA) 2002-02-26 — — 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 (4 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-20070037977-A1 Substituted-1, 3-oxathiolanes and substituted-1, 3-dioxolanes with antiviral properties IFNAR1, MAVS, IFNG NT5E 1708/4885HINT1 996/4885CYP1A2 1337/4885
US-20070037975-A1 Substituted-1,3-oxathiolanes and substituted-1, 3-dioxolanes with antiviral properties IFNAR1, MAVS, IFNG NT5E 1586/4885HINT1 1022/4885CYP1A2 1428/4885
US-20030087918-A1 Synthesis of substituted 1,3-dioxolanes and substituted 1,3-oxathiolanes with antiviral properties IFNAR1, ZC3HAV1, NUDT1 NT5E 824/4885HINT1 604/4885CYP1A2 818/4885
US-20040254201-A1 Substituted-1,3-oxathiolanes and substituted-1,3-dioxolanes with antiviral properties IFNAR1, ZC3HAV1, MAVS NT5E 787/4885HINT1 575/4885CYP1A2 997/4885

“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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