SCHEMBL17198419

SCHEMBL17198419

CC1(C)O[C@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](COC(=O)c3ccccc3)[C@H]2O1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.80
HPGD P15428 1/20 0.66
POLB P06746 1/20 0.57
GAA P10253 1/20 0.57
MAPK1 P28482 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
CES2 O00748 1/20 0.40
SLC22A1 O15245 1/20 0.39
PPM1B O75688 1/20 0.39
HTT P42858 1/20 0.39
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
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.37
CA2 P00918 2/20 0.37
SYNJ2 O15056 2/20 0.37
CA1 P00915 1/20 0.37

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
SCHEMBL26207249 0.94 ALDH1A1 (0.75) ALDH1A1HPGDPOLBGAAMAPK1
SCHEMBL17198635 0.93 ALDH1A1 (0.77) ALDH1A1HPGDPOLBGAAMAPK1
SCHEMBL13396743 0.93 ALDH1A1 (0.73) ALDH1A1HPGDPOLBGAAMAPK1
SCHEMBL26206934 0.92 ALDH1A1 (0.72) ALDH1A1HPGDPOLBGAAMAPK1
SCHEMBL18512714 0.92 ALDH1A1 (0.75) ALDH1A1HPGDPOLBGAAMAPK1
SCHEMBL4953659 0.90 ALDH1A1 (0.69) ALDH1A1HPGDPOLBGAAMAPK1
SCHEMBL10432003 0.90 ALDH1A1 (0.66) ALDH1A1HPGDPOLBGAAMAPK1
SCHEMBL26207475 0.89 ALDH1A1 (0.68) ALDH1A1HPGDPOLBGAAMAPK1
SCHEMBL11524115 0.89 ALDH1A1 (0.71) ALDH1A1HPGDPOLBGAAMAPK1
SCHEMBL11520420 0.88 ALDH1A1 (0.69) ALDH1A1HPGDPOLBGAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10202411-B2 3′-substituted methyl or alkynyl nucleosides nucleotides for the treatment of HCV IDENIX PHARMACEUTICALS LLC (US) 2019-02-12 US disclosed
US-20170044205-A1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES NUCLEOTIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS, INC. 2017-02-16 US disclosed
WO-2015161137-A1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS, INC. (US) 2015-10-22 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 (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-20170044205-A1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES NUCLEOTIDES FOR THE TREATMENT OF HCV RB1, NSUN2, METTL3 ALDH1A1 1322/4885HPGD 4495/4885POLB 430/4885
US-10202411-B2 3′-substituted methyl or alkynyl nucleosides nucleotides for the treatment of HCV RB1, NSUN2, METTL3 ALDH1A1 1311/4885HPGD 4488/4885POLB 423/4885

“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.