SCHEMBL723664

SCHEMBL723664

C[C@H](NP(=O)(Cl)Oc1cccc2ccccc12)C(=O)OCCC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 4/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.38
HTR1B P28222 2/20 0.38
OGG1 O15527 1/20 0.38
HTT P42858 1/20 0.37
PGR P06401 1/20 0.37
GAA P10253 1/20 0.37
PTGS1 P23219 1/20 0.37
MAPK1 P28482 1/20 0.37
NR2E1 Q9Y466 1/20 0.37

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
SCHEMBL723663 1.00 BTN3A1 (0.39) BTN3A1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL15837460 0.89 HTT (0.41) BTN3A1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL10208172 0.89 HTT (0.41) BTN3A1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL723907 0.89 HTT (0.41) BTN3A1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL1743835 0.89 HTT (0.41) BTN3A1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL10208163 0.89 ALDH1A1 (0.40) BTN3A1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL14941788 0.88 ALDH1A1 (0.39) BTN3A1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL14941789 0.88 ALDH1A1 (0.39) BTN3A1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL1274611 0.87 CNR2 (0.41) BTN3A1ALDH1A1KDM4EHPGDKMT2A
SCHEMBL1273006 0.86 BTN3A1 (0.45) BTN3A1ALDH1A1HSD17B10HPGDOGG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140286903-A1 Substituted Purine Nucleosides, Phosphoramidate and Phosphordiamidate Derivatives for Treatment if Viral Infections INHIBITEX, INC. (US) 2014-09-25 US disclosed
US-20140286903-A1 Substituted Purine Nucleosides, Phosphoramidate and Phosphordiamidate Derivatives for Treatment if Viral Infections INHIBITEX, INC. (US) 2014-09-25 US disclosed
US-20140286903-A1 Substituted Purine Nucleosides, Phosphoramidate and Phosphordiamidate Derivatives for Treatment if Viral Infections INHIBITEX, INC. (US) 2014-09-25 US disclosed
EP-2776438-A1 SUBSTITUTED PURINE NUCLEOSIDES, PHOSPHORAMIDATE AND PHOSPHORDIAMIDATE DERIVATIVES FOR TREATMENT OF VIRAL INFECTIONS Inhibitex, Inc. (US) 2014-09-17 EP disclosed
US-8759318-B2 Phosphoramidate derivatives of guanosine nucleoside compounds for treatment of viral infections INHIBITEX, INC. (US) 2014-06-24 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-8759318-B2 Phosphoramidate derivatives of guanosine nucleoside compounds for treatment of viral infections INHIBITEX, INC. (US) 2014-06-24 US disclosed
WO-2013070887-A1 SUBSTITUTED PURINE NUCLEOSIDES, PHOSPHORAMIDATE AND PHOSPHORDIAMIDATE DERIVATIVES FOR TREATMENT OF VIRAL INFECTIONS INHIBITEX, INC. (US) 2013-05-16 WO disclosed
WO-2013070887-A1 SUBSTITUTED PURINE NUCLEOSIDES, PHOSPHORAMIDATE AND PHOSPHORDIAMIDATE DERIVATIVES FOR TREATMENT OF VIRAL INFECTIONS INHIBITEX, INC. (US) 2013-05-16 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
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
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
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 (2 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 BTN3A1 4601/4885ALDH1A1 4139/4885KDM4E 4140/4885
US-20140286903-A1 Substituted Purine Nucleosides, Phosphoramidate and Phosphordiamidate Derivatives for Treatment if Viral Infections PNP, TYMP, SLC29A1 BTN3A1 2881/4885ALDH1A1 2038/4885KDM4E 3847/4885

“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.