SCHEMBL4904263

SCHEMBL4904263

CC(CS(=O)(=O)N(C)C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.38
CYP1A2 P05177 1/20 0.38
FOLH1 Q04609 2/20 0.33
NAALAD2 Q9Y3Q0 2/20 0.33
ENPEP Q07075 2/20 0.33
BLM P54132 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
PMP22 Q01453 1/20 0.32
TP53 P04637 1/20 0.32
ACE2 Q9BYF1 1/20 0.31

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
SCHEMBL4904267 1.00 GABRR1 (0.38) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL14113249 1.00 GABRR1 (0.38) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL16390499 0.77 CYP1A2 (0.39) GABRR1CYP1A2FOLH1NAALAD2BLM
SCHEMBL13585124 0.76 PMP22 (0.48) CYP1A2PMP22
SCHEMBL4910666 0.74 LMNA (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4898850 0.73 GABRR1 (0.42) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL2437343 0.73 GABRR1 (0.42) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL7193017 0.73 GABRR1 (0.42) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL8436474 0.73 GABRR1 (0.42) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL27431345 0.73 GABRR1 (0.42) GABRR1CYP1A2FOLH1NAALAD2ENPEP

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 12 patents. 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-20060199822-A1 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-09-07 US disclosed
US-7091219-B2 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors G. D. SEARLE & CO. (US) 2006-08-15 US disclosed
EP-1586558-A2 Bis-sulfonamide hydroxyethylamino retroviral protease inhinitors G.D. Searle LLC. (US) 2005-10-19 EP disclosed
US-20040063771-A1 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors G.D. SEARLE & CO. (US) 2004-04-01 US disclosed
US-6569882-B2 Viricides; enzyme inhibitors G. D. SEARLE & CO. 2003-05-27 US disclosed
US-20030013751-A1 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors G.D. SEARLE & CO. (US) 2003-01-16 US disclosed
US-6384036-B1 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors G.D. SEARLE & CO. 2002-05-07 US disclosed
US-6143747-A ENZYME INHIBITORS G. D. SEARLE & CO. (US) 2000-11-07 US disclosed
WO-1996022287-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-07-25 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 (4 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 GABRR1 2795/4885CYP1A2 2446/4885FOLH1 273/4885
US-20030013751-A1 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors DNPEP, PRSS1, PREP GABRR1 2713/4885CYP1A2 2576/4885FOLH1 215/4885
US-20060199822-A1 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors PRSS1, DNPEP, PREP GABRR1 2795/4885CYP1A2 2446/4885FOLH1 273/4885
US-20040063771-A1 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors DNPEP, PRSS1, PREP GABRR1 2713/4885CYP1A2 2576/4885FOLH1 215/4885

“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.