SCHEMBL13469494

SCHEMBL13469494

C[C@H](NP(=O)(Oc1c(F)c(F)c(F)c(F)c1F)Oc1cccc2ccccc12)C(=O)OCC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.39
▸ BTN3A1 O00481 8/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ OGG1 O15527 1/20 0.34
▸ PGR P06401 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ PRNP P04156 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CARM1 Q86X55 1/20 0.33
▸ PRMT6 Q96LA8 1/20 0.33

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
SCHEMBL30472855 1.00 HTT (0.39) HTTBTN3A1ALDH1A1HSD17B10KDM4E
SCHEMBL30269882 0.92 HTT (0.37) HTTBTN3A1ALDH1A1HSD17B10KDM4E
SCHEMBL25012574 0.92 HTT (0.37) HTTBTN3A1ALDH1A1HSD17B10KDM4E
SCHEMBL28986476 0.89 BTN3A1 (0.41) HTTBTN3A1ALDH1A1KDM4EOGG1
SCHEMBL29895522 0.89 BTN3A1 (0.41) HTTBTN3A1ALDH1A1KDM4EOGG1
SCHEMBL29637567 0.88 BTN3A1 (0.38) HTTBTN3A1ALDH1A1HSD17B10OGG1
SCHEMBL23044633 0.88 MEN1 (0.39) HTTBTN3A1ALDH1A1HSD17B10KDM4E
SCHEMBL15203122 0.87 BTN3A1 (0.40) HTTBTN3A1ALDH1A1HSD17B10KDM4E
SCHEMBL20587649 0.86 BTN3A1 (0.42) BTN3A1ALDH1A1KDM4EGAAMAPK1
SCHEMBL20833545 0.86 BTN3A1 (0.42) BTN3A1ALDH1A1KDM4EGAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023205786-A1 DIDEHYDRO-3'-DEOXY-4'-ETHYNYLTHYMIDINES AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS ROME THERAPEUTICS, INC. (US) 2023-10-26 — — WO disclosed
EP-2696679-B1 2'-CYANO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME (US) 2017-08-02 — — EP disclosed
US-9150603-B2 2′-cyano substituted nucleoside derivatives and methods of use thereof useful for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2015-10-06 — — US disclosed
EP-2552931-B1 STEREOSELECTIVE SYNTHESIS OF PHOSPHORUS CONTAINING ACTIVES GILEAD PHARMASSET LLC (US) 2014-07-23 — — EP disclosed
US-20140161770-A1 2'-CYANO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF USEFUL FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2014-06-12 — — US disclosed
US-20140161770-A1 2'-CYANO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF USEFUL FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2014-06-12 — — US disclosed
WO-2012142093-A2 2'-CYANO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2012-10-18 — — 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-20140161770-A1 2'-CYANO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF USEFUL FOR THE TREATMENT OF VIRAL DISEASES HCCS, NSUN2, PNP HTT 3628/4885BTN3A1 2370/4885ALDH1A1 1146/4885

“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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