SCHEMBL723798

SCHEMBL723798

CC(C)(C)[Si](OC[C@H]1OC(=O)[C@](C)(O)[C@@H]1O)(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.40
TOP2A P11388 1/20 0.36
CYP3A4 P08684 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL26558129 0.82 CYP3A4 (0.37) SMYD2TOP2ACYP3A4HTTSMN1; SMN2
SCHEMBL26558088 0.81 TOP2A (0.35) SMYD2TOP2ACYP3A4HTTSMN1; SMN2
SCHEMBL23992637 0.80 TOP2A (0.38) TOP2A
SCHEMBL26558041 0.79 SMYD2 (0.34) SMYD2CYP3A4HTT
SCHEMBL10268793 0.79 CYP3A4 (0.34) SMYD2TOP2ACYP3A4
SCHEMBL26558108 0.79 SMYD2 (0.34) SMYD2CYP3A4HTT
SCHEMBL721136 0.78 SMYD2 (0.33) SMYD2CYP3A4
SCHEMBL721137 0.78 SMYD2 (0.33) SMYD2CYP3A4
SCHEMBL13906451 0.77 SMYD2 (0.38) SMYD2TOP2ACYP3A4HTTSMN1; SMN2
SCHEMBL5449704 0.77 SMYD2 (0.38) SMYD2CYP3A4HTTSMN1; 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 6 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-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
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

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 SMYD2 3643/4885TOP2A 471/4885CYP3A4 2465/4885
US-20140286903-A1 Substituted Purine Nucleosides, Phosphoramidate and Phosphordiamidate Derivatives for Treatment if Viral Infections PNP, TYMP, SLC29A1 SMYD2 3671/4885TOP2A 2326/4885CYP3A4 1797/4885

“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.