SCHEMBL881372

SCHEMBL881372

C[C@@]1(F)[C@H](OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)OC1(O)c1ccc2c(N)ncnn12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ RIPK1 Q13546 5/20 0.34
▸ POLB P06746 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TNK2 Q07912 4/20 0.33
▸ GAPDH P04406 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ NPSR1 Q6W5P4 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
SCHEMBL14996153 1.00 ALDH1A1 (0.36) ALDH1A1MAPTRIPK1POLBMEN1
SCHEMBL24791260 1.00 ALDH1A1 (0.36) ALDH1A1MAPTRIPK1POLBMEN1
SCHEMBL24168927 0.92 ALDH1A1 (0.35) ALDH1A1RIPK1POLBMEN1USP2
SCHEMBL12398186 0.92 RIPK1 (0.35) RIPK1TNK2
SCHEMBL15084410 0.92 RIPK1 (0.35) RIPK1TNK2
SCHEMBL12398293 0.91 ALDH1A1 (0.37) ALDH1A1MAPTPOLBMEN1USP2
SCHEMBL10148597 0.91 ALDH1A1 (0.37) ALDH1A1MAPTPOLBMEN1USP2
SCHEMBL25914985 0.91 ALDH1A1 (0.38) ALDH1A1RIPK1TNK2
SCHEMBL18697905 0.91 ALDH1A1 (0.38) ALDH1A1RIPK1TNK2
SCHEMBL17617320 0.90 ALDH1A1 (0.36) ALDH1A1MAPTRIPK1POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210403497-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 1`-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS GILEAD SCIENCES, INC. 2021-12-30 — — US disclosed
US-10988498-B2 Processes and intermediates for the preparation of 1′-substituted carba-nucleoside analogs GILEAD SCIENCES, INC. (US) 2021-04-27 — — US disclosed
US-10023600-B2 Processes and intermediates for the preparation of 1′-substituted carba-nucleoside analogs GILEAD SCIENCES, INC. (US) 2018-07-17 — — US disclosed
US-10023600-B2 Processes and intermediates for the preparation of 1′-substituted carba-nucleoside analogs GILEAD SCIENCES, INC. (US) 2018-07-17 — — US disclosed
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
EP-2480559-B1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 1'-CYANO-CARBANUCLEOSIDE ANALOGS GILEAD SCIENCES INC (US) 2013-07-03 — — 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-2012039791-A1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-03-29 — — WO disclosed
WO-2012039787-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
US-20110230654-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS GILEAD SCIENCES, INC. (US) 2011-09-22 — — US disclosed
US-20110230654-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS GILEAD SCIENCES, INC. (US) 2011-09-22 — — 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
WO-2011035250-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS GILEAD SCIENCES, INC. (US) 2011-03-24 — — WO 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 (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-20210403497-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 1`-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS PNP, TYMP, TYMS ALDH1A1 778/4885MAPT 4073/4885RIPK1 2091/4885
US-20120009147-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, NSUN2, CDA ALDH1A1 1783/4885MAPT 4506/4885RIPK1 2887/4885
US-10023600-B2 Processes and intermediates for the preparation of 1′-substituted carba-nucleoside analogs PNP, TYMP, CDA ALDH1A1 873/4885MAPT 4100/4885RIPK1 1956/4885
US-20110070194-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, RNGTT, SLC29A1 ALDH1A1 1619/4885MAPT 4330/4885RIPK1 2829/4885
US-10988498-B2 Processes and intermediates for the preparation of 1′-substituted carba-nucleoside analogs PNP, TYMP, CDA ALDH1A1 873/4885MAPT 4100/4885RIPK1 1956/4885
US-20110230654-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS PNP, TYMP, CDA ALDH1A1 755/4885MAPT 4095/4885RIPK1 2062/4885

“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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