SCHEMBL722416

SCHEMBL722416

C[C@H](NP(=O)(Cl)Oc1cccc2ccccc12)C(=O)O[C@@H](C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
BTN3A1 O00481 3/20 0.38
ALDH1A1 P00352 5/20 0.38
HSD17B10 Q99714 2/20 0.38
PGR P06401 1/20 0.38
GAA P10253 1/20 0.38
PTGS1 P23219 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 4/20 0.37
HPGD P15428 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
OGG1 O15527 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
ESRRA P11474 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
MEN1 O00255 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL721567 0.89 KMT2A (0.40) KMT2ABTN3A1ALDH1A1HSD17B10PGR
SCHEMBL30675662 0.89 BTN3A1 (0.45) KMT2ABTN3A1ALDH1A1HSD17B10PGR
SCHEMBL723035 0.89 BTN3A1 (0.45) KMT2ABTN3A1ALDH1A1HSD17B10PGR
SCHEMBL723036 0.89 BTN3A1 (0.45) KMT2ABTN3A1ALDH1A1HSD17B10PGR
SCHEMBL22582156 0.86 ALDH1A1 (0.43) KMT2ABTN3A1ALDH1A1HSD17B10PGR
SCHEMBL30628342 0.86 ALDH1A1 (0.43) KMT2ABTN3A1ALDH1A1HSD17B10PGR
SCHEMBL12274119 0.86 ALDH1A1 (0.43) KMT2ABTN3A1ALDH1A1HSD17B10PGR
SCHEMBL1273621 0.85 ALDH1A1 (0.43) KMT2ABTN3A1ALDH1A1HSD17B10PGR
SCHEMBL719597 0.85 ALDH1A1 (0.43) KMT2ABTN3A1ALDH1A1HSD17B10PGR
SCHEMBL721443 0.83 KMT2A (0.38) KMT2ABTN3A1OGG1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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 (1 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 KMT2A 3637/4885BTN3A1 4601/4885ALDH1A1 4139/4885

“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.