SCHEMBL13424575

SCHEMBL13424575

C[C@]1(F)C(Cl)O[C@H](COC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.50
▸ POLB P06746 3/20 0.42
▸ GAA P10253 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ GAPDH P04406 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNA5 P30532 1/20 0.38
▸ CHRNA7 P36544 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38

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
SCHEMBL18271832 1.00 ALDH1A1 (0.50) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL17685117 1.00 ALDH1A1 (0.50) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL16556366 1.00 ALDH1A1 (0.50) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL929589 1.00 ALDH1A1 (0.50) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL24371811 0.88 ALDH1A1 (0.50) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL19326428 0.88 ALDH1A1 (0.50) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL929484 0.88 ALDH1A1 (0.50) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL17560666 0.88 ALDH1A1 (0.50) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL21015462 0.88 ALDH1A1 (0.50) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL19326334 0.88 ALDH1A1 (0.50) ALDH1A1POLBGAAMAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2855497-B1 PROCESS FOR THE PREPARATION OF 2-DEOXY-2-FLUORO-2-METHYL-D-RIBOFURANOSYL NUCLEOSIDE COMPOUNDS HOFFMANN LA ROCHE (CH) 2016-04-20 — — EP disclosed
US-8912321-B2 Preparation of nucleosides ribofuranosyl pyrimidines GILEAD PHARMASSET LLC (US) 2014-12-16 — — US disclosed
US-8912321-B2 Preparation of nucleosides ribofuranosyl pyrimidines GILEAD PHARMASSET LLC (US) 2014-12-16 — — US disclosed
US-20100056770-A1 PREPARATION OF NUCLEOSIDES RIBOFURANOSYL PYRIMIDINES GILEAD PHARMASSET LLC 2010-03-04 — — US disclosed
US-20080139802-A1 Converting 2'-deoxy-2'-fluoro-2'-methyl-D-ribonolactones derivatives to 3-fluoro-3-methyl-2-chlorofuran compounds using chlorinating agent such as sulfuryl chloride, thionyl chloride or phosphorus oxychloride and tetrabutylammonium bromide PHARMASSET, INC. 2008-06-12 — — 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 (2 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-20080139802-A1 Converting 2'-deoxy-2'-fluoro-2'-methyl-D-ribonolactones derivatives to 3-fluoro-3-methyl-2-chlorofuran compounds using chlorinating agent such as sulfuryl chloride, thionyl chloride or phosphorus oxychloride and tetrabutylammonium bromide FBL, NSUN2, RNGTT ALDH1A1 3181/4885POLB 43/4885GAA 4248/4885
US-20100056770-A1 PREPARATION OF NUCLEOSIDES RIBOFURANOSYL PYRIMIDINES RNGTT, UMPS, NT5C3B ALDH1A1 1279/4885POLB 133/4885GAA 1580/4885

“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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