SCHEMBL721808

SCHEMBL721808

C[C@H](NOCC(C)(C)C)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
MME P08473 1/20 0.32
ACE P12821 1/20 0.32
CPA1 P15085 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL1287222 1.00 KDM4E (0.32) KDM4EALDH1A1TSHRMMEACE
SCHEMBL1287220 0.76
SCHEMBL13248610 0.76
SCHEMBL7772973 0.74
SCHEMBL1287248 0.74
SCHEMBL9168326 0.74 FOLH1 (0.34) KDM4EALDH1A1TSHRMMEACE
SCHEMBL1287361 0.74 CYP2D6 (0.34) KDM4EALDH1A1TSHRMMEACE
SCHEMBL9168323 0.74 FOLH1 (0.34) KDM4EALDH1A1TSHRMMEACE
SCHEMBL12477657 0.73
SCHEMBL1287186 0.72 MME (0.36) KDM4EALDH1A1TSHRMMEACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3224268-A1 NEW 2' AND/OR 5' AMINO-ACID ESTER PHOSPHORAMIDATE 3'-DEOXY ADENOSINE DERIVATIVES AS ANTI-CANCER COMPOUNDS NuCana BioMed Limited (GB) 2017-10-04 EP claimed
WO-2016083830-A1 NEW 2' AND/OR 5' AMINO-ACID ESTER PHOSPHORAMIDATE 3'-DEOXY ADENOSINE DERIVATIVES AS ANTI-CANCER COMPOUNDS NUCANA BIOMED LIMITED (GB) 2016-06-02 WO claimed
US-10570168-B2 2′ and/or 5′ amino-acid ester phosphoramidate 3′-deoxy adenosine derivatives as anti- cancer compounds NuCana plc (GB) 2020-02-25 US disclosed
EP-3224268-A1 NEW 2' AND/OR 5' AMINO-ACID ESTER PHOSPHORAMIDATE 3'-DEOXY ADENOSINE DERIVATIVES AS ANTI-CANCER COMPOUNDS NuCana BioMed Limited (GB) 2017-10-04 EP disclosed
US-20170253629-A1 2' AND/OR 5' AMINO-ACID ESTER PHOSPHORAMIDATE 3'-DEOXY ADENOSINE DERIVATIVES AS ANTI-CANCER COMPOUNDS NUCANA BIOMED LIMITED (GB) 2017-09-07 US disclosed
EP-2658857-B1 SUBSTITUTED PURINE NUCLEOSIDES, PHOSPHOROAMIDATE AND PHOSPHORODIAMIDATE DERIVATIVES FOR TREATMENT OF VIRAL INFECTIONS INHIBITEX INC (US) 2016-11-02 EP disclosed
WO-2016083830-A1 NEW 2' AND/OR 5' AMINO-ACID ESTER PHOSPHORAMIDATE 3'-DEOXY ADENOSINE DERIVATIVES AS ANTI-CANCER COMPOUNDS NUCANA BIOMED LIMITED (GB) 2016-06-02 WO disclosed
US-9351989-B2 Substituted purine nucleosides, phosphoroamidate and phosphorodiamidate derivatives for treatment of viral infections INHIBITEX, INC. (US) 2016-05-31 US disclosed
US-8759318-B2 Phosphoramidate derivatives of guanosine nucleoside compounds for treatment of viral infections INHIBITEX, INC. (US) 2014-06-24 US disclosed
US-20140140955-A1 SUBSTITUTED PURINE NUCLEOSIDES, PHOSPHOROAMIDATE AND PHOSPHORODIAMIDATE DERIVATIVES FOR TREATMENT OF VIRAL INFECTIONS UNIVERSITY COLLEGE OF CARDIFF CONSULTANTS LIMITED (GB) 2014-05-22 US disclosed
EP-2658857-A2 SUBSTITUTED PURINE NUCLEOSIDES, PHOSPHOROAMIDATE AND PHOSPHORODIAMIDATE DERIVATIVES FOR TREATMENT OF VIRAL INFECTIONS Inhibitex, Inc. (US) 2013-11-06 EP disclosed
WO-2012092484-A2 SUBSTITUTED PURINE NUCLEOSIDES, PHOSPHOROAMIDATE AND PHOSPHORODIAMIDATE DERIVATIVES FOR TREATMENT OF VIRAL INFECTIONS INHIBITEX, INC. (US) 2012-07-05 WO disclosed
WO-2012048013-A2 PHOSPHORODIAMIDATE DERIVATIVES OF GUANOSINE NUCLEOSIDE COMPOUNDS FOR TREATMENT OF VIRAL INJECTIONS INHIBITEX, INC. (US) 2012-04-12 WO disclosed
US-20120052046-A1 Phosphoramidate Derivatives of Guanosine Nucleoside Compunds for Treatment of Viral Infections UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2012-03-01 US disclosed
EP-2385951-A2 PHOSPHORAMIDATE DERIVATIVES OF GUANOSINE NUCLEOSIDE COMPOUNDS FOR TREATMENT OF VIRAL INFECTIONS University College Cardiff Consultants, Ltd. (GB) 2011-11-16 EP disclosed
US-20110254856-A1 MOBILE TERMINAL AND METHOD OF CONTROLLING OPERATION OF THE MOBILE TERMINAL LG ELECTRONICS INC. (KR) 2011-10-20 US disclosed
WO-2010081082-A2 PHOSPHORAMIDATE DERIVATIVES OF GUANOSINE NUCLEOSIDE COMPOUNDS FOR TREATMENT OF VIRAL INFECTIONS UNIVERSITY COLLEGE OF CARDIFF CONSULTANTS LIMITED (GB) 2010-07-15 WO 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-20120052046-A1 Phosphoramidate Derivatives of Guanosine Nucleoside Compunds for Treatment of Viral Infections PNP, SAMHD1, MTAP KDM4E 4140/4885ALDH1A1 4139/4885TSHR 4198/4885
US-10570168-B2 2′ and/or 5′ amino-acid ester phosphoramidate 3′-deoxy adenosine derivatives as anti- cancer compounds MTAP, RNMT, ADA KDM4E 1394/4885ALDH1A1 2162/4885TSHR 4795/4885
US-20140140955-A1 SUBSTITUTED PURINE NUCLEOSIDES, PHOSPHOROAMIDATE AND PHOSPHORODIAMIDATE DERIVATIVES FOR TREATMENT OF VIRAL INFECTIONS PNP, UMPS, UPP1 KDM4E 2806/4885ALDH1A1 2369/4885TSHR 3467/4885
US-20170253629-A1 2' AND/OR 5' AMINO-ACID ESTER PHOSPHORAMIDATE 3'-DEOXY ADENOSINE DERIVATIVES AS ANTI-CANCER COMPOUNDS MTAP, ADA, RNMT KDM4E 1420/4885ALDH1A1 2194/4885TSHR 4793/4885

“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.