SCHEMBL4911183

SCHEMBL4911183

CC(C)CN(CC(OS(C)(=O)=O)C(N)Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPPL2A Q8TCT8 3/20 0.50
ALDH1A1 P00352 5/20 0.46
HTT P42858 2/20 0.44
HPGD P15428 1/20 0.44
TAS2R14 Q9NYV8 1/20 0.41
MEP1B Q16820 1/20 0.41
LMNA P02545 4/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
RORC P51449 3/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39

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
SCHEMBL4973149 0.85 SPPL2A (0.69) SPPL2AALDH1A1HTTHPGDTAS2R14
SCHEMBL4787816 0.85 SPPL2A (0.69) SPPL2AALDH1A1HTTHPGDTAS2R14
SCHEMBL4911178 0.84 SPPL2A (0.66) SPPL2AALDH1A1HTTHPGDTAS2R14
SCHEMBL6061183 0.79 SPPL2A (0.59) SPPL2AALDH1A1KEAP1PSEN1PSEN2
SCHEMBL464764 0.79 SPPL2A (0.59) SPPL2AALDH1A1KEAP1PSEN1PSEN2
SCHEMBL4911572 0.77 ALDH1A1 (0.53) SPPL2AALDH1A1HTTHPGDTAS2R14
SCHEMBL4906010 0.77 ALDH1A1 (0.53) SPPL2AALDH1A1HTTHPGDTAS2R14
SCHEMBL14216612 0.76 SPPL2A (0.55) SPPL2ALMNA
SCHEMBL2582404 0.75 ALDH1A1 (0.53) SPPL2AALDH1A1HTTHPGDTAS2R14
SCHEMBL14189478 0.75 SPPL2A (0.54) SPPL2ALMNA

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176842-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE LLC (US) 2008-07-24 US disclosed
EP-0804428-B1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS SEARLE LLC (US) 2007-12-26 EP disclosed
US-7297793-B2 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors G.D. SEARLE, LLC (US) 2007-11-20 US disclosed
US-20070004646-A1 Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2007-01-04 US disclosed
US-7141594-B2 inhibitors of HIV protease for treating AIDS G. D. SEARLE & CO. (US) 2006-11-28 US disclosed
US-20060264483-A1 Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-11-23 US disclosed
US-20060240410-A1 Retroviral protease inhibitor combinations G.D. SEARLE & CO. (US) 2006-10-26 US disclosed
US-20060199822-A1 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-09-07 US disclosed
US-7098202-B2 Amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G. D. SEARLE & CO. (US) 2006-08-29 US disclosed
US-20060189611-A1 Amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-08-24 US disclosed
EP-1076062-A1 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2001-02-14 EP disclosed
US-6172101-B1 TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTIONS G. D. SEARLE & CO. 2001-01-09 US disclosed
US-6150556-A INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS(HIV) PROTEASE; PROPHYLAXIS AND THERAPY OF RETROVIRUS INFECTIONS G. D. DEARLE & CO. (US) 2000-11-21 US disclosed
EP-1052250-A1 Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2000-11-15 EP disclosed
US-6143747-A ENZYME INHIBITORS G. D. SEARLE & CO. (US) 2000-11-07 US disclosed
US-6127556-A Epoxide formation by continuous in-situ synthesis process G. D. SEARLE & CO. (US) 2000-10-03 US disclosed
US-6063795-A ENZYME INHIBITORS G.D. SEARLE & COMPANY (US) 2000-05-16 US disclosed
US-5968970-A TREATMENT OF HIV G. D. SEARLE & COMPANY (US) 1999-10-19 US disclosed
US-5965601-A NOVEL COMPOUNDS FOR INHIBITING REPLICATION OF A RETROVIRUS; TREATING HIV G. D. SEARLE & CO. (US) 1999-10-12 US disclosed
WO-1996028463-A1 AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-09-19 WO 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 (5 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-20080176842-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS PRSS1, DNPEP, PREP SPPL2A 636/4885ALDH1A1 2674/4885HTT 1097/4885
US-20070004646-A1 Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, ANPEP SPPL2A 282/4885ALDH1A1 3417/4885HTT 389/4885
US-20060199822-A1 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors PRSS1, DNPEP, PREP SPPL2A 636/4885ALDH1A1 2674/4885HTT 1097/4885
US-20060264483-A1 Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, PRSS1 SPPL2A 349/4885ALDH1A1 3190/4885HTT 365/4885
US-20060189611-A1 Amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, ANPEP SPPL2A 268/4885ALDH1A1 3732/4885HTT 549/4885

“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.