SCHEMBL1377520

SCHEMBL1377520

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ THRB P10828 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ GALR3 O60755 1/20 0.48
▸ CA1 P00915 10/20 0.47
▸ CA2 P00918 10/20 0.47
▸ CA9 Q16790 10/20 0.47
▸ CA12 O43570 8/20 0.47
▸ CA14 Q9ULX7 8/20 0.47
▸ TSHR P16473 1/20 0.45
▸ PRKCA P17252 1/20 0.43
▸ AKT1 P31749 1/20 0.43
▸ PTK2 Q05397 1/20 0.43
▸ PRKAB2 O43741 1/20 0.43
▸ PRKAG1 P54619 1/20 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
SCHEMBL13614200 1.00 LMNA (0.51) LMNAALDH1A1THRBSMN1; SMN2HIF1A
SCHEMBL12892515 1.00 LMNA (0.51) LMNAALDH1A1THRBSMN1; SMN2HIF1A
SCHEMBL15031303 1.00 LMNA (0.51) LMNAALDH1A1THRBSMN1; SMN2HIF1A
SCHEMBL12154623 0.90 CD69 (0.44) LMNAALDH1A1THRBSMN1; SMN2HIF1A
SCHEMBL12879162 0.90 LMNA (0.40) LMNAALDH1A1THRBSMN1; SMN2HIF1A
SCHEMBL12150456 0.90 LMNA (0.40) LMNAALDH1A1THRBSMN1; SMN2HIF1A
SCHEMBL28449032 0.84 LMNA (0.55) LMNAALDH1A1THRBSMN1; SMN2HIF1A
SCHEMBL14036675 0.84 LMNA (0.34) LMNAALDH1A1THRBSMN1; SMN2HIF1A
SCHEMBL16349578 0.84 OGA (0.36) LMNAALDH1A1THRBSMN1; SMN2HIF1A
SCHEMBL5566952 0.83 LMNA (0.52) LMNAALDH1A1THRBSMN1; SMN2HIF1A

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 40 patents — showing the first 20. 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-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-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-8871785-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2014-10-28 — — US disclosed
US-20130316969-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2013-11-28 — — 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-8022083-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2011-09-20 — — US disclosed
US-20050215513-A1 Use of an antiviral compound linked to one or more phosphonate groups in hepatitis C treatment; improved bioavailability, side effect reduction; antiviral compound is a 2-(2-isopropylaminothiazol-4-yl)-4-(tricyclic fused ring)-7-methoxy-quinoline compound GILEAD SCIENCES, INC. 2005-09-29 — — US disclosed
WO-2005067982-A2 METHODS FOR IMAGING THE LYMPHATIC SYSTEM USING DENDRIMER-BASED CONTRAST AGENTS THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-07-28 — — WO disclosed
US-20050159372-A1 Nucleoside analogs with carboxamidine modified monocyclic base VALEANT CANADA LP (CA) 2005-07-21 — — US disclosed
WO-2004096286-A2 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2004-11-11 — — WO disclosed
WO-2004096235-A2 ANTI-CANCER PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2004-11-11 — — WO disclosed
WO-2004096233-A2 NUCLEOSIDE PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2004-11-11 — — WO disclosed
US-20040014696-A1 Specificity in treatment of diseases VALEANT RESEARCH & DEVELOPMENT 2004-01-22 — — US disclosed
US-4992426-A Antiparasitic 5'-sulfamoyl nucleosides NUCLEIC ACID RESEARCH INSTITUTE (US) 1991-02-12 — — US disclosed
US-4925930-A ANTICARCINOGENIC AND ANTITUMOR AGENTS NUCLEIC ACID RESEARCH INSTITUTE (US) 1990-05-15 — — US disclosed
US-RE29835-E PHARMACEUTICAL ICN PHARMACEUTICALS (US) 1978-11-14 — — 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 (6 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 4754/4885THRB 4066/4885
US-20110288053-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP LMNA 2918/4885ALDH1A1 4754/4885THRB 4066/4885
US-20130316969-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP LMNA 2918/4885ALDH1A1 4754/4885THRB 4066/4885
US-20040014696-A1 Specificity in treatment of diseases GLS2, GOT2, SHMT2 LMNA 1844/4885ALDH1A1 1004/4885THRB 1665/4885
US-20050215513-A1 Use of an antiviral compound linked to one or more phosphonate groups in hepatitis C treatment; improved bioavailability, side effect reduction; antiviral compound is a 2-(2-isopropylaminothiazol-4-yl)-4-(tricyclic fused ring)-7-methoxy-quinoline compound EIF2AK2, PNP, NUDT1 LMNA 2901/4885ALDH1A1 3720/4885THRB 3649/4885
US-20050159372-A1 Nucleoside analogs with carboxamidine modified monocyclic base NT5C2, PNP, SLC29A1 LMNA 3406/4885ALDH1A1 1998/4885THRB 3799/4885

“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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