Paraben

Paraben

SCHEMBL17840949

NC(=O)c1cccnc1.O=C(O)c1ccc(O)cc1

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.71
F3 P13726 1/20 0.71
SARM1 Q6SZW1 1/20 0.71
SIRT2 Q8IXJ6 1/20 0.71
SIRT6 Q8N6T7 1/20 0.71
SIRT1 Q96EB6 1/20 0.71
SIRT3 Q9NTG7 1/20 0.71
SIRT5 Q9NXA8 1/20 0.71
SIRT4 Q9Y6E7 1/20 0.71
ALDH1A1 P00352 2/20 0.62
APP P05067 1/20 0.62
GAA P10253 1/20 0.62
HCAR3 P49019 1/20 0.62
HCAR2 Q8TDS4 1/20 0.62
MKNK1 Q9BUB5 4/20 0.54
MKNK2 Q9HBH9 4/20 0.54
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA3 P07451 1/20 0.52

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
Terephthalamic Acid SCHEMBL7674497 0.92 F7 (0.79) F7F3SARM1SIRT2SIRT6
Niacinamide SCHEMBL28589259 0.90 F7 (0.81) F7F3SARM1SIRT2SIRT6
Niacinamide SCHEMBL29596610 0.90 F7 (0.81) F7F3SARM1SIRT2SIRT6
Niacinamide SCHEMBL1462628 0.88 F7 (0.85) F7F3SARM1SIRT2SIRT6
Aminobenzoic Acid SCHEMBL9443950 0.87 F7 (0.71) F7F3SARM1SIRT2SIRT6
Niacinamide SCHEMBL18938563 0.87 F7 (0.76) F7F3SARM1SIRT2SIRT6
Niacinamide SCHEMBL675207 0.86 F7 (0.96) F7F3SARM1SIRT2SIRT6
Niacinamide SCHEMBL460466 0.84 F7 (1.00) F7F3SARM1SIRT2SIRT6
Niacinamide SCHEMBL2926 0.84
Niacinamide SCHEMBL29624874 0.84

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
EP-3237422-A1 CO-CRYSTALS OF 5-AMINO-2-OXOTHIAZOLO[4,5-D]PYRIMIDIN-3(2H)-YL-5-HYDROXYMETHYL TETRAHYDROFURAN-3-YL ACETATE AND METHODS FOR PREPARING AND USING THE SAME F. Hoffmann-La Roche AG (CH) 2017-11-01 EP disclosed
US-9676793-B2 Co-crystals of 5-amino-2-oxothiazolo[4,5-d]pyrimidin-3(2H)-yl-5-hydroxymethyl tetrahydrofuran-3-yl acetate and methods for preparing and using the same HOFFMANN-LAROCHE INC. (US) 2017-06-13 US disclosed
WO-2016103166-A1 CO-CRYSTALS OF 5-AMINO-2-OXOTHIAZOLO[4,5-D]PYRIMIDIN-3(2H)-YL-5-HYDROXYMETHYL TETRAHYDROFURAN-3-YL ACETATE AND METHODS FOR PREPARING AND USING THE SAME F. HOFFMANN-LA ROCHE AG (CH) 2016-06-30 WO disclosed
US-20160176899-A1 CO-CRYSTALS OF 5-AMINO-2-OXOTHIAZOLO[4,5-D]PYRIMIDIN-3(2H)-YL-5-HYDROXYMETHYL TETRAHYDROFURAN-3-YL ACETATE AND METHODS FOR PREPARING AND USING THE SAME HOFFMANN-LA ROCHE INC. 2016-06-23 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 (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-20160176899-A1 CO-CRYSTALS OF 5-AMINO-2-OXOTHIAZOLO[4,5-D]PYRIMIDIN-3(2H)-YL-5-HYDROXYMETHYL TETRAHYDROFURAN-3-YL ACETATE AND METHODS FOR PREPARING AND USING THE SAME SLC10A1, HCCS, HAVCR2 F7 1854/4885F3 2465/4885SARM1 3550/4885

“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.