SCHEMBL7257376

SCHEMBL7257376

[CH2]c1cccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)CCO3)c1O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.51
NFE2L2 Q16236 3/20 0.51
MMP2 P08253 2/20 0.48
MMP13 P45452 2/20 0.48
RORC P51449 11/20 0.42
PKM P14618 1/20 0.39
CHRM5 P08912 1/20 0.39
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
PKLR P30613 1/20 0.37

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
SCHEMBL7447004 0.86 KEAP1 (0.47) KEAP1NFE2L2MMP2MMP13RORC
SCHEMBL2578817 0.83 MMP2 (0.47) KEAP1NFE2L2MMP2MMP13RORC
SCHEMBL7450627 0.79 RORC (0.46) RORC
SCHEMBL2578313 0.78 MCL1 (0.50) RORCHPGD
SCHEMBL7451743 0.78 RORC (0.45) RORC
SCHEMBL7343868 0.77 RORC (0.47) KEAP1NFE2L2RORC
SCHEMBL5029070 0.77 MMP2 (0.43) KEAP1NFE2L2MMP2MMP13RORC
SCHEMBL7452491 0.76 KEAP1 (0.50) KEAP1NFE2L2MMP13RORC
SCHEMBL7452453 0.75 ALDH1A1 (0.47) RORC
SCHEMBL5031155 0.73 RORC (0.40) RORCPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43802-E1 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2012-11-13 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-20020052399-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors VAZQUEZ MICHAEL L (US) 2002-05-02 US claimed
US-RE43802-E1 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2012-11-13 US disclosed
US-20030191319-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. 2003-10-09 US disclosed
US-20020052399-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors VAZQUEZ MICHAEL L (US) 2002-05-02 US disclosed
US-6248775-B1 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G. D. SEARLE & CO. 2001-06-19 US disclosed
US-6214861-B1 ENZYME INHIBITOR; VIRICIDES G.D. SEARLE & CO. 2001-04-10 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-20020052399-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP KEAP1 4367/4885NFE2L2 3961/4885MMP2 671/4885
US-20030191319-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP KEAP1 4367/4885NFE2L2 3961/4885MMP2 671/4885

“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.