Sugi Predict

Sugi Predict / Compounds / SCHEMBL4869169

SCHEMBL4869169

SCHEMBL4869169

CC(C)ONS(=O)(=O)c1ccc(N)c(N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ MAPT P10636 4/20 0.43
▸ PKM P14618 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HTR6 P50406 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ MMP1 P03956 1/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ MMP8 P22894 1/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ PIK3CD O00329 1/20 0.42
▸ PIK3CB P42338 1/20 0.42
▸ MTOR P42345 1/20 0.42
▸ PIK3CG P48736 1/20 0.42

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
SCHEMBL4862422 0.82 ALDH1A1 (0.54) ALDH1A1MAPTPKMKDM4EMEN1
SCHEMBL4874314 0.79 POLB (0.51) ALDH1A1PKMKMT2AHTR6CA1
SCHEMBL6828363 0.75 GAA (0.53) ALDH1A1MAPTPKMKDM4EMEN1
SCHEMBL4875177 0.74 CA2 (0.60) ALDH1A1KDM4EMEN1GAAKMT2A
SCHEMBL12650695 0.74 MMP2 (0.50) GAACA1CA2MMP1MMP2
SCHEMBL4872757 0.72 MMP2 (0.58) ALDH1A1PKMGAACA1CA2
SCHEMBL1784104 0.71 ADAMTS4 (0.55) MAPTMEN1GAAKMT2ACA1
SCHEMBL24170274 0.70 CCR8 (0.47) ALDH1A1MAPTKDM4EMMP1MMP2
SCHEMBL4867769 0.70 KDM4E (0.44) ALDH1A1MAPTPKMKDM4EMEN1
SCHEMBL516836 0.70 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7419967-B2 Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-02 — — US disclosed
US-7419967-B2 Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-02 — — US disclosed
US-7419967-B2 Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-02 — — US disclosed
US-20060172936-A1 Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2006-08-03 — — US disclosed
US-20040097594-A1 Sulfonamide inhibitors of aspartyl protease HALE MICHAEL ROBIN (US) 2004-05-20 — — US disclosed
US-6613743-B2 Administering to a patient suffering from viral infections a sulfonamides antiviral agents which are aspartyl protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-09-02 — — US disclosed
US-20020049201-A1 Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2002-04-25 — — 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 (3 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-20040097594-A1 Sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP ALDH1A1 1841/4885MAPT 1933/4885PKM 2764/4885
US-20060172936-A1 Sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP ALDH1A1 1841/4885MAPT 1933/4885PKM 2764/4885
US-20020049201-A1 Sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP ALDH1A1 1841/4885MAPT 1933/4885PKM 2764/4885

“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.