Sugi Predict

Sugi Predict / Compounds / SCHEMBL2582086

SCHEMBL2582086

SCHEMBL2582086

CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SPPL2A Q8TCT8 2/20 0.48
▸ RORC P51449 5/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ TAS2R14 Q9NYV8 1/20 0.44
▸ MMP1 P03956 2/20 0.43
▸ MMP2 P08253 2/20 0.43
▸ MMP9 P14780 2/20 0.43
▸ MMP8 P22894 2/20 0.43
▸ MMP13 P45452 2/20 0.43
▸ HIF1A Q16665 1/20 0.42
▸ EPAS1 Q99814 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
SCHEMBL2578860 0.93 MAPK1 (0.47) SPPL2ARORCALDH1A1KMT2AMAPK1
SCHEMBL6872886 0.90 SPPL2A (0.49) SPPL2ARORCALDH1A1KMT2AMAPK1
SCHEMBL2582413 0.90 SPPL2A (0.52) SPPL2ARORCTAS2R14MMP1MMP2
SCHEMBL1813344 0.89 SPPL2A (0.48) SPPL2ARORCALDH1A1KMT2AMAPK1
SCHEMBL6764842 0.88 SPPL2A (0.53) SPPL2ARORCTAS2R14
SCHEMBL28778215 0.88 SPPL2A (0.47) SPPL2ARORCALDH1A1KMT2AMAPK1
SCHEMBL611342 0.88 SPPL2A (0.47) SPPL2ARORCALDH1A1KMT2AMAPK1
SCHEMBL6708204 0.87 SPPL2A (0.50) SPPL2ARORCKMT2ATAS2R14
SCHEMBL6709280 0.87 SPPL2A (0.55) SPPL2ARORCKMT2AMEN1TAS2R14
SCHEMBL2576497 0.86 TAS2R14 (0.51) SPPL2ARORCKMT2ATAS2R14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE42889-E1 α- and β- amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2011-11-01 — — US claimed
US-20040229922-A1 Alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. 2004-11-18 — — US claimed
US-20030191319-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. 2003-10-09 — — US claimed
US-6455581-B1 INHIBITORS OF HIV PROTEASE. G.D. SEARLE & CO. 2002-09-24 — — US claimed
WO-1995006030-A1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-03-02 — — WO claimed

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-20030191319-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP SPPL2A 180/4885RORC 3583/4885ALDH1A1 1630/4885
US-20040229922-A1 Alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP SPPL2A 180/4885RORC 3583/4885ALDH1A1 1630/4885

“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.