Sugi Predict

Sugi Predict / Compounds / SCHEMBL6835330

SCHEMBL6835330

SCHEMBL6835330

CCOC(=O)CN(C)C=C(C(=O)OCC)[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.41
▸ LMNA P02545 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CYP2C9 P11712 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MGAM O43451 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SI P14410 1/20 0.33
▸ MGAM2 Q2M2H8 1/20 0.33
▸ GLO1 Q04760 2/20 0.33
▸ GRIA1 P42261 1/20 0.32
▸ GRIA2 P42262 1/20 0.32
▸ GRIA3 P42263 1/20 0.32
▸ GRIA4 P48058 1/20 0.32

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
SCHEMBL1295107 0.82 CYP1A2 (0.49) CYP1A2CYP2C19ALDH1A1LMNAHPGD
SCHEMBL165898 0.82 CYP1A2 (0.49) CYP1A2CYP2C19ALDH1A1LMNAHPGD
SCHEMBL1295110 0.82 CYP1A2 (0.49) CYP1A2CYP2C19ALDH1A1LMNAHPGD
SCHEMBL17674143 0.75 CYP1A2 (0.54) CYP1A2CYP2C19ALDH1A1LMNAHPGD
SCHEMBL14706091 0.75 CYP1A2 (0.54) CYP1A2CYP2C19ALDH1A1LMNAHPGD
SCHEMBL17674145 0.75 CYP1A2 (0.54) CYP1A2CYP2C19ALDH1A1LMNAHPGD
SCHEMBL14810020 0.74 CYP1A2 (0.45) CYP1A2CYP2C19ALDH1A1LMNAHPGD
SCHEMBL14810017 0.74 CYP1A2 (0.45) CYP1A2CYP2C19ALDH1A1LMNAHPGD
SCHEMBL13898322 0.73 GLO1 (0.55) CYP1A2CYP2C19ALDH1A1LMNAHPGD
SCHEMBL23941092 0.72 CYP1A2 (0.51) CYP1A2CYP2C19ALDH1A1LMNAHPGD

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-20040014984-A1 Process for the preparation of derivatives of 4-amino-3-hydroxypyrrole-2-carboxylic acid PHARMACIA CORPORATION 2004-01-22 — — US disclosed
US-6632950-B2 By reducing the corresponding 4-nitro derivative; useful as monomers for polyamides capable of binding dsDNA (double stranded DNA) and hence in nucleotide sequence recognition PHARMACIA CORPORATION 2003-10-14 — — US disclosed
US-20020042522-A1 Process for the preparation of derivative of 4-amino-3-hydroxypyrrole-2-carboxylic acid PHARMACIA CORPORATION 2002-04-11 — — 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 (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-20040014984-A1 Process for the preparation of derivatives of 4-amino-3-hydroxypyrrole-2-carboxylic acid POLL, LIG4, HPD CYP1A2 1741/4885CYP2C19 1424/4885ALDH1A1 3015/4885
US-20020042522-A1 Process for the preparation of derivative of 4-amino-3-hydroxypyrrole-2-carboxylic acid LIG4, POLL, HPD CYP1A2 1746/4885CYP2C19 1423/4885ALDH1A1 3010/4885

“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.