SCHEMBL881677

SCHEMBL881677

C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@@]1(C#N)c1ccc2c(N)ncnn12

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.40
▸ ADORA2A P29274 1/20 0.33
▸ PIK3CD O00329 4/20 0.31
▸ POLRMT O00411 1/20 0.31
▸ PI4KA P42356 1/20 0.31
▸ PI4K2B Q8TCG2 1/20 0.31
▸ PI4K2A Q9BTU6 1/20 0.31
▸ PI4KB Q9UBF8 1/20 0.31
▸ CDK5 Q00535 1/20 0.31
▸ CDK5R1 Q15078 1/20 0.31
▸ HSPA8 P11142 1/20 0.30

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
SCHEMBL15682912 0.91 TMPRSS2 (0.41) TMPRSS2ADORA2APIK3CDPOLRMTPI4KA
SCHEMBL15888889 0.90 TMPRSS2 (0.40) TMPRSS2ADORA2APIK3CDPOLRMTPI4KA
SCHEMBL19644929 0.90 TMPRSS2 (0.42) TMPRSS2ADORA2APIK3CDPOLRMTPI4KA
SCHEMBL16730747 0.90 TMPRSS2 (0.42) TMPRSS2ADORA2APIK3CDPOLRMTPI4KA
SCHEMBL10120471 0.90 TMPRSS2 (0.42) TMPRSS2ADORA2APIK3CDPOLRMTPI4KA
SCHEMBL17109563 0.90 TMPRSS2 (0.42) TMPRSS2ADORA2APIK3CDPOLRMTPI4KA
SCHEMBL12243239 0.90 TMPRSS2 (0.42) TMPRSS2ADORA2APIK3CDPOLRMTPI4KA
SCHEMBL18480857 0.90 TMPRSS2 (0.40) TMPRSS2POLRMTCDK5CDK5R1
SCHEMBL18470918 0.90 TMPRSS2 (0.40) TMPRSS2POLRMTCDK5CDK5R1
SCHEMBL17117181 0.90 TMPRSS2 (0.42) TMPRSS2ADORA2APIK3CDPOLRMTPI4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3150608-A1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT Gilead Sciences, Inc. (US) 2017-04-05 — — EP disclosed
EP-2480552-B1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2016-11-09 — — EP disclosed
US-8859756-B2 Stereoselective synthesis of phosphorus containing actives GILEAD PHARMASSET LLC (US) 2014-10-14 — — US disclosed
EP-2752422-A1 Stereoselective synthesis of phosphorus containing actives Gilead Pharmasset LLC (US) 2014-07-09 — — EP disclosed
US-8455451-B2 2'-fluoro substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2013-06-04 — — US disclosed
US-8455451-B2 2'-fluoro substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2013-06-04 — — US disclosed
WO-2012039787-A1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-03-29 — — WO disclosed
WO-2012039791-A1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-03-29 — — WO disclosed
US-20120009147-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-01-12 — — US disclosed
US-20120009147-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-01-12 — — US disclosed
WO-2011123668-A2 STEREOSELECTIVE SYNTHESIS OF PHOSPHORUS CONTAINING ACTIVES PHARMASSET, INC. (US) 2011-10-06 — — WO disclosed
US-20110245484-A1 STEREOSELECTIVE SYNTHESIS OF PHOSPHORUS CONTAINING ACTIVES PHARMASSET, INC. (US) 2011-10-06 — — US disclosed
US-20110245484-A1 STEREOSELECTIVE SYNTHESIS OF PHOSPHORUS CONTAINING ACTIVES PHARMASSET, INC. (US) 2011-10-06 — — US disclosed
US-7973013-B2 2'-fluoro substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2011-07-05 — — US disclosed
US-7973013-B2 2'-fluoro substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2011-07-05 — — US disclosed
US-20110070194-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2011-03-24 — — US disclosed
US-20110070194-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2011-03-24 — — 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-20120009147-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, NSUN2, CDA TMPRSS2 2894/4885ADORA2A 109/4885PIK3CD 222/4885
US-20110070194-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, RNGTT, SLC29A1 TMPRSS2 2767/4885ADORA2A 149/4885PIK3CD 283/4885
US-20110245484-A1 STEREOSELECTIVE SYNTHESIS OF PHOSPHORUS CONTAINING ACTIVES PPA1, ENPP1, ITPA TMPRSS2 951/4885ADORA2A 780/4885PIK3CD 68/4885

“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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