SCHEMBL12151512

SCHEMBL12151512

COC[C@H]1O[C@@H](n2cnc(C#N)n2)[C@H](O)[C@@H]1O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 5/20 0.44
▸ LMNA P02545 3/20 0.43
▸ PNP P00491 3/20 0.43
▸ ADORA1 P30542 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ EIF4E P06730 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ TOP1 P11387 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ THPO P40225 1/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ ADK P55263 4/20 0.42
▸ ATG7 O95352 3/20 0.40

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
SCHEMBL12150458 0.87 LMNA (0.45) ADORA3LMNAPNPADORA1SMN1; SMN2
SCHEMBL9780439 0.85 LMNA (0.59) ADORA3LMNAPNPADORA1SMN1; SMN2
SCHEMBL13320587 0.85 LMNA (0.59) ADORA3LMNAPNPADORA1SMN1; SMN2
SCHEMBL13352081 0.85 LMNA (0.59) ADORA3LMNAPNPADORA1SMN1; SMN2
SCHEMBL6917119 0.84 LMNA (0.42) ADORA3LMNAPNPADORA1SMN1; SMN2
SCHEMBL9780402 0.83 ATG7 (0.58) ATG7
SCHEMBL12300351 0.81 LMNA (0.44) ADORA3LMNAPNPADORA1SMN1; SMN2
SCHEMBL17232105 0.79 PNP (0.57) ADORA3LMNAPNPADORA1SMN1; SMN2
SCHEMBL17232112 0.79 LMNA (0.57) ADORA3LMNAPNPADORA1SMN1; SMN2
SCHEMBL6914219 0.79 LMNA (0.40) ADORA3LMNAPNPADORA1SMN1; SMN2

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-9139604-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2015-09-22 — — US disclosed
US-20150025039-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. 2015-01-22 — — US disclosed
US-8871785-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2014-10-28 — — US disclosed
US-20110288053-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2011-11-24 — — US disclosed
US-8022083-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2011-09-20 — — US disclosed
US-20110071101-A1 Nucleoside Phosphonate Analogs BOOJAMRA CONSTANTINE G 2011-03-24 — — US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 — — US disclosed
US-7429565-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-09-30 — — 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 (3 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-20150025039-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP ADORA3 936/4885LMNA 2918/4885PNP 3/4885
US-20110071101-A1 Nucleoside Phosphonate Analogs TYMP, PNP, NUDT1 ADORA3 167/4885LMNA 1265/4885PNP 2/4885
US-20110288053-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP ADORA3 936/4885LMNA 2918/4885PNP 3/4885

“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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