SCHEMBL12150456

SCHEMBL12150456

CC[C@H]1O[C@@H](n2cnc(C#N)n2)[C@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ GALR3 O60755 1/20 0.39
▸ CA1 P00915 11/20 0.38
▸ CA2 P00918 11/20 0.38
▸ CA9 Q16790 11/20 0.38
▸ CA12 O43570 9/20 0.38
▸ CA14 Q9ULX7 9/20 0.38
▸ CD69 Q07108 1/20 0.37
▸ PRKAB2 O43741 1/20 0.34
▸ PRKAG1 P54619 1/20 0.34
▸ PRKAA2 P54646 1/20 0.34
▸ PRKAA1 Q13131 1/20 0.34
▸ PRKAG3 Q9UGI9 1/20 0.34

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
SCHEMBL12879162 1.00 LMNA (0.40) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL12154623 0.91 CD69 (0.44) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL15031303 0.90 LMNA (0.51) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL12892515 0.90 LMNA (0.51) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL1377520 0.90 LMNA (0.51) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL13614200 0.90 LMNA (0.51) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL16349578 0.85 OGA (0.36) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL14036675 0.85 LMNA (0.34) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL12879161 0.81 LMNA (0.54) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL12150458 0.77 LMNA (0.45) LMNAALDH1A1SMN1; 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 5 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-20110071101-A1 Nucleoside Phosphonate Analogs BOOJAMRA CONSTANTINE G 2011-03-24 — — 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 (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 LMNA 2918/4885ALDH1A1 4754/4885TP53 946/4885
US-20110071101-A1 Nucleoside Phosphonate Analogs TYMP, PNP, NUDT1 LMNA 1265/4885ALDH1A1 3413/4885TP53 1353/4885
US-20110288053-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP LMNA 2918/4885ALDH1A1 4754/4885TP53 946/4885

“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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