SCHEMBL17198445

SCHEMBL17198445

CC(C)OC(=O)[C@@H](C)NP(=S)(Cl)Oc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 10/20 0.52
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
ELANE P08246 1/20 0.37
HTT P42858 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
SCHEMBL784413 1.00 BTN3A1 (0.52) BTN3A1CYP3A4CYP2C9ELANEHTT
SCHEMBL15052723 1.00 BTN3A1 (0.52) BTN3A1CYP3A4CYP2C9ELANEHTT
SCHEMBL790348 0.88 BTN3A1 (0.50) BTN3A1ELANE
SCHEMBL790562 0.88 BTN3A1 (0.42) BTN3A1ELANEHTT
SCHEMBL16374214 0.86 BTN3A1 (0.55) BTN3A1CYP3A4CYP2C9ELANEHTT
SCHEMBL524067 0.86 BTN3A1 (0.55) BTN3A1CYP3A4CYP2C9ELANEHTT
SCHEMBL18067091 0.86 BTN3A1 (0.52) BTN3A1CYP3A4CYP2C9ELANE
SCHEMBL20248041 0.86 BTN3A1 (0.55) BTN3A1CYP3A4CYP2C9ELANEHTT
SCHEMBL18067089 0.86 BTN3A1 (0.52) BTN3A1CYP3A4CYP2C9ELANE
SCHEMBL524066 0.86 BTN3A1 (0.55) BTN3A1CYP3A4CYP2C9ELANEHTT

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 4 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
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 BTN3A1 3272/4885CYP3A4 3319/4885CYP2C9 3771/4885
US-10202411-B2 3′-substituted methyl or alkynyl nucleosides nucleotides for the treatment of HCV RB1, NSUN2, METTL3 BTN3A1 3347/4885CYP3A4 3291/4885CYP2C9 3724/4885

“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.