SCHEMBL10142507

SCHEMBL10142507

C[C@@]1(O)[C@H](O)[C@@H](COP(=O)(O)O)O[C@@]1(C#N)c1ccc2c(N)ncnn12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.38
▸ TMPRSS2 O15393 1/20 0.36
▸ DNPH1 O43598 1/20 0.35
▸ PRKAB2 O43741 1/20 0.35
▸ TRPM2 O94759 1/20 0.35
▸ LDHA P00338 1/20 0.35
▸ ADRB2 P07550 1/20 0.35
▸ FBP1 P09467 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ P2RY2 P41231 1/20 0.35
▸ P2RY1 P47900 1/20 0.35
▸ PRKAG1 P54619 1/20 0.35
▸ PRKAA2 P54646 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ PRKAA1 Q13131 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.35

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
SCHEMBL10142499 0.92 POLRMT (0.47) POLRMTP2RY2ENTPD1
SCHEMBL18697844 0.91 POLRMT (0.38) POLRMTTMPRSS2DNPH1PRKAB2TRPM2
SCHEMBL10149707 0.91 POLRMT (0.38) POLRMTTMPRSS2DNPH1PRKAB2TRPM2
SCHEMBL12393465 0.90 TMPRSS2 (0.35) TMPRSS2DNPH1SIRT2SIRT1
SCHEMBL16519864 0.86 POLRMT (0.38) POLRMTTMPRSS2DNPH1PRKAB2TRPM2
SCHEMBL12393302 0.86 DNPH1 (0.37) DNPH1PRKAB2TRPM2LDHAADRB2
SCHEMBL16519852 0.86 DNPH1 (0.37) DNPH1PRKAB2TRPM2LDHAADRB2
SCHEMBL14681865 0.86 TMPRSS2 (0.34) POLRMTTMPRSS2
SCHEMBL10120471 0.85 TMPRSS2 (0.42) POLRMTTMPRSS2
SCHEMBL12243239 0.85 TMPRSS2 (0.42) POLRMTTMPRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE46762-E1 1′-substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC (US) 2018-03-27 — — US disclosed
US-RE46762-E1 1′-substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC (US) 2018-03-27 — — US disclosed
EP-2937350-A1 1' -substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2015-10-28 — — EP disclosed
EP-2268642-B1 1' -SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2015-02-25 — — EP disclosed
US-8853171-B2 1′-substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2014-10-07 — — US disclosed
US-8853171-B2 1′-substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2014-10-07 — — US disclosed
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-20130034521-A1 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2013-02-07 — — US disclosed
US-8318682-B2 1′substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2012-11-27 — — US disclosed
US-20120020921-A1 1'-SUBSTITUTED-CARBA-NUCLEOSIDE PRODRUGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-01-26 — — US disclosed
US-20120020921-A1 1'-SUBSTITUTED-CARBA-NUCLEOSIDE PRODRUGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-01-26 — — US disclosed
US-8008264-B2 1′-substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2011-08-30 — — US disclosed
US-20100021425-A1 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2010-01-28 — — US disclosed
US-20100021425-A1 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2010-01-28 — — 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 (3 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-20130034521-A1 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, MTAP, SLC29A1 POLRMT 263/4885TMPRSS2 1945/4885DNPH1 1081/4885
US-20120020921-A1 1'-SUBSTITUTED-CARBA-NUCLEOSIDE PRODRUGS FOR ANTIVIRAL TREATMENT PNP, TYMP, MTAP POLRMT 496/4885TMPRSS2 2225/4885DNPH1 455/4885
US-20100021425-A1 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, MTAP, SLC29A1 POLRMT 263/4885TMPRSS2 1945/4885DNPH1 1081/4885

“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.

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