SCHEMBL10120471

SCHEMBL10120471

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.42
▸ ADORA2A P29274 2/20 0.35
▸ PIK3CD O00329 2/20 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
SCHEMBL17117181 1.00 TMPRSS2 (0.42) TMPRSS2ADORA2APIK3CDPOLRMTPI4KA
SCHEMBL12243239 1.00 TMPRSS2 (0.42) TMPRSS2ADORA2APIK3CDPOLRMTPI4KA
SCHEMBL16730747 1.00 TMPRSS2 (0.42) TMPRSS2ADORA2APIK3CDPOLRMTPI4KA
SCHEMBL19644929 1.00 TMPRSS2 (0.42) TMPRSS2ADORA2APIK3CDPOLRMTPI4KA
SCHEMBL17109563 1.00 TMPRSS2 (0.42) TMPRSS2ADORA2APIK3CDPOLRMTPI4KA
SCHEMBL15682912 0.91 TMPRSS2 (0.41) TMPRSS2ADORA2APIK3CDPOLRMTPI4KA
SCHEMBL881677 0.90 TMPRSS2 (0.40) TMPRSS2ADORA2APIK3CDPOLRMTPI4KA
SCHEMBL15888889 0.90 TMPRSS2 (0.40) TMPRSS2ADORA2APIK3CDPOLRMTPI4KA
SCHEMBL12393232 0.90 TMPRSS2 (0.37) TMPRSS2ADORA2APOLRMTPI4KAPI4K2B
SCHEMBL12393404 0.89 TMPRSS2 (0.41) TMPRSS2

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230181615-A1 COMPOSITION OF ANTIVIRAL AGENT FOR USE IN PROPHYLACTIC OR POST-EXPOSURE TREATMENT OF INFECTIOUS OR RESPIRATORY DISEASES INSPIRMED CORP (TW) 2023-06-15 — — US disclosed
EP-2709613-B2 METHODS FOR TREATING HCV GILEAD PHARMASSET LLC (US) 2020-08-12 — — EP disclosed
US-10456414-B2 Methods for treating HCV GILEAD PHARMASSET LLC (US) 2019-10-29 — — US disclosed
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-2709613-B1 METHODS FOR TREATING HCV GILEAD PHARMASSET LLC (US) 2017-11-29 — — EP disclosed
US-20170189439-A1 METHODS FOR TREATING HCV GILEAD SCIENCES, INC. 2017-07-06 — — US disclosed
US-20170189439-A1 METHODS FOR TREATING HCV GILEAD SCIENCES, INC. 2017-07-06 — — US disclosed
US-20170042961-A1 METHODS FOR TREATING HCV GILEAD PHARMASSET LLC 2017-02-16 — — US disclosed
US-20170042961-A1 METHODS FOR TREATING HCV GILEAD PHARMASSET LLC 2017-02-16 — — US disclosed
US-8318682-B2 1′substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2012-11-27 — — US disclosed
US-8318682-B2 1′substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2012-11-27 — — US disclosed
WO-2012012465-A1 METHODS FOR THE PREPARATION OF DIASTEROMERICALLY PURE PHOSPHORAMIDATE PRODRUGS CLARKE, MICHAEL, O'NEIL HANRAHAN (US) 2012-01-26 — — WO 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
WO-2011150288-A1 1'-SUBSTITUTED-CARBA-NUCLEOSIDE PRODRUGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2011-12-01 — — WO disclosed
US-8008264-B2 1′-substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2011-08-30 — — 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 (6 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 2225/4885ADORA2A 113/4885PIK3CD 377/4885
US-20100021425-A1 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, MTAP, SLC29A1 TMPRSS2 1945/4885ADORA2A 93/4885PIK3CD 334/4885
US-10456414-B2 Methods for treating HCV HAVCR2, HCCS, LIPC TMPRSS2 1426/4885ADORA2A 1055/4885PIK3CD 4557/4885
US-20230181615-A1 COMPOSITION OF ANTIVIRAL AGENT FOR USE IN PROPHYLACTIC OR POST-EXPOSURE TREATMENT OF INFECTIOUS OR RESPIRATORY DISEASES LIPA, MAVS, ISG15 TMPRSS2 2386/4885ADORA2A 581/4885PIK3CD 2045/4885
US-20170189439-A1 METHODS FOR TREATING HCV HAVCR2, HCCS, LIPC TMPRSS2 1426/4885ADORA2A 1055/4885PIK3CD 4557/4885
US-20170042961-A1 METHODS FOR TREATING HCV HAVCR2, HCCS, LIPC TMPRSS2 1426/4885ADORA2A 1055/4885PIK3CD 4557/4885

“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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