SCHEMBL10142778

SCHEMBL10142778

CC(C)OC(=O)[C@H](C)NP(=O)(N[C@@H](C)C(=O)OC(C)C)OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@](C)(O)[C@@H]1O

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.34
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ POLRMT O00411 1/20 0.31

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
SCHEMBL10142407 0.93 TMPRSS2 (0.34) TMPRSS2POLRMT
SCHEMBL10142785 0.91 TMPRSS2 (0.31) TMPRSS2
SCHEMBL14845667 0.91 TMPRSS2 (0.31) TMPRSS2
SCHEMBL10142784 0.91 TMPRSS2 (0.31) TMPRSS2
SCHEMBL10142406 0.91 CYP3A4 (0.32) TMPRSS2CYP3A4CYP2C9
SCHEMBL14845671 0.90 TMPRSS2 (0.33) TMPRSS2
SCHEMBL10142401 0.90 TMPRSS2 (0.33) TMPRSS2
SCHEMBL18293558 0.89 CYP3A4 (0.45) TMPRSS2CYP3A4CYP2C9
SCHEMBL10120472 0.89 CYP3A4 (0.45) TMPRSS2CYP3A4CYP2C9
SCHEMBL10142516 0.89 CYP3A4 (0.45) TMPRSS2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576534-B1 1'-SUBSTITUTED-CARBA-NUCLEOSIDE PRODRUGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2014-03-19 — — EP disclosed
US-8415308-B2 1′-substituted-carba-nucleoside prodrugs for antiviral treatment GILEAD SCIENCES, INC. (US) 2013-04-09 — — US disclosed
US-8415308-B2 1′-substituted-carba-nucleoside prodrugs for antiviral treatment GILEAD SCIENCES, INC. (US) 2013-04-09 — — US disclosed
US-20120020921-A1 1'-SUBSTITUTED-CARBA-NUCLEOSIDE PRODRUGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-01-26 — — US disclosed
WO-2011150288-A1 1'-SUBSTITUTED-CARBA-NUCLEOSIDE PRODRUGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2011-12-01 — — 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-20120020921-A1 1'-SUBSTITUTED-CARBA-NUCLEOSIDE PRODRUGS FOR ANTIVIRAL TREATMENT PNP, TYMP, MTAP TMPRSS2 2225/4885CYP3A4 373/4885CYP2C9 1163/4885

“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.

Send feedback