Sugi Predict

Sugi Predict / Compounds / SCHEMBL464724

SCHEMBL464724

SCHEMBL464724

COC(C)NC(C)OC.NS(=O)(=O)c1cccc2c1OCO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ PKLR P30613 1/20 0.37
▸ EPHB4 P54760 1/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA5A P35218 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ MAOB P27338 1/20 0.34
▸ HTR2A P28223 7/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ DRD2 P14416 6/20 0.33
▸ DRD3 P35462 6/20 0.33
▸ NAMPT P43490 2/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ MGAM O43451 1/20 0.33
▸ AMY1A P0DUB6 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SI P14410 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
SCHEMBL464734 0.83 ABCG2 (0.41) EPHB4CA1CA2CA5ACA9
SCHEMBL464723 0.77 MGAM (0.37) ALDH1A1POLBPKLREPHB4CA1
SCHEMBL464729 0.73 PTGS1 (0.43) ALDH1A1POLBEPHB4CA1CA2
SCHEMBL464740 0.71 PTGS2 (0.36) POLBEPHB4CA2CA9MAOB
SCHEMBL10664550 0.71 ACLY (0.44) CA1CA2CA5ACA9PTGS1
SCHEMBL464731 0.71 MGAM (0.37) ALDH1A1POLBPKLREPHB4MAOB
SCHEMBL464814 0.69 CA12 (0.40) POLBEPHB4CA1CA2CA9
SCHEMBL464779 0.68 GSK3B (0.42) ALDH1A1POLBPKLRMAOBNAMPT
SCHEMBL4749803 0.68 MAOB (0.43) ALDH1A1POLBPKLRMAOBNAMPT
SCHEMBL464730 0.66 EED (0.39) CA2HTR2APTGS1PTGS2MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 — — US disclosed
EP-1686113-B1 Inhibitors of aspartyl protease VERTEX PHARMA (US) 2011-11-23 — — EP disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 — — US disclosed
EP-1686113-A1 Inhibitors of aspartyl protease Vertex Pharmaceuticals Incorporated (US) 2006-08-02 — — EP disclosed
EP-1194404-B1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMA (US) 2006-05-03 — — EP disclosed
US-6878728-B1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICAL INCORPORATED (US) 2005-04-12 — — US disclosed
US-20040122000-A1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED. 2004-06-24 — — US disclosed
EP-1194404-A1 INHIBITORS OF ASPARTYL PROTEASE Vertex Pharmaceuticals Incorporated (US) 2002-04-10 — — EP disclosed
WO-2000076961-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2000-12-21 — — 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-20040122000-A1 Inhibitors of aspartyl protease SPINT2, DNPEP, PRSS1 ALDH1A1 1604/4885POLB 1832/4885PKLR 3239/4885
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE SPINT2, DNPEP, PRSS1 ALDH1A1 1604/4885POLB 1832/4885PKLR 3239/4885

“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.