SCHEMBL2581281

SCHEMBL2581281

COc1ccc(S(=O)(=O)N(CCC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)N(Cc2ccccc2)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 3/20 0.51
PTGES O14684 1/20 0.51
TAS2R8 Q9NYW2 1/20 0.51
CXCR3 P49682 1/20 0.51
BMP1 P13497 1/20 0.49
BACE1 P56817 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KEAP1 Q14145 1/20 0.47

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
SCHEMBL2578425 0.92 PTGES (0.53) TAS2R14PTGESTAS2R8CXCR3KEAP1
SCHEMBL5928397 0.92 PTGES (0.53) TAS2R14PTGESTAS2R8CXCR3KEAP1
SCHEMBL7959979 0.91 RORC (0.44) TAS2R14BACE1
SCHEMBL7959974 0.91 RORC (0.44) TAS2R14BACE1
SCHEMBL2576474 0.91 RORC (0.44) TAS2R14BACE1
SCHEMBL2582931 0.89 TAS2R14 (0.47) TAS2R14
SCHEMBL2578910 0.89 TAS2R14 (0.47) TAS2R14CXCR3BACE1
SCHEMBL7256999 0.87 TAS2R14 (0.53) TAS2R14PTGESTAS2R8CXCR3
SCHEMBL6714647 0.87 TAS2R14 (0.53) TAS2R14PTGESTAS2R8CXCR3
SCHEMBL2578860 0.86 MAPK1 (0.47)

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 6 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-6455581-B1 INHIBITORS OF HIV PROTEASE. G.D. SEARLE & CO. 2002-09-24 US claimed
EP-0810209-B1 Alpha - and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors SEARLE & CO (US) 2002-06-05 EP claimed
WO-1995006030-A1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-03-02 WO claimed
EP-0810209-B1 Alpha - and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors SEARLE & CO (US) 2002-06-05 EP 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 (1 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-20040229922-A1 Alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP TAS2R14 4157/4885PTGES 2316/4885TAS2R8 4624/4885

“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.