SCHEMBL4908115

SCHEMBL4908115

CC(CS(=O)(=O)Cl)C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
ELANE P08246 1/20 0.46
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CA1 P00915 5/20 0.44
CA2 P00918 5/20 0.44
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
ACHE P22303 3/20 0.42
LMNA P02545 2/20 0.42
ATM Q13315 1/20 0.42
HCAR2 Q8TDS4 1/20 0.41
CDC25B P30305 1/20 0.41
CTSB P07858 1/20 0.41

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
SCHEMBL4908120 1.00 ALDH1A1 (0.50) ALDH1A1ELANEMAPK1L3MBTL1SLC6A2
SCHEMBL4904204 1.00 ALDH1A1 (0.50) ALDH1A1ELANEMAPK1L3MBTL1SLC6A2
SCHEMBL14601752 0.86 ALDH1A1 (0.51) ALDH1A1ELANEMAPK1L3MBTL1SLC6A2
SCHEMBL7275980 0.85 ALDH1A1 (0.47) ALDH1A1ELANEMAPK1L3MBTL1SLC6A2
SCHEMBL4911216 0.84 CA1 (0.51) ALDH1A1ELANEMAPK1L3MBTL1SLC6A2
SCHEMBL4911221 0.84 CA1 (0.51) ALDH1A1ELANEMAPK1L3MBTL1SLC6A2
SCHEMBL4816041 0.82 HSD17B10 (0.48) ALDH1A1ELANECTSB
SCHEMBL4910936 0.82 ALDH1A1 (0.47) ALDH1A1ELANEMAPK1L3MBTL1SLC6A2
SCHEMBL4910931 0.82 ALDH1A1 (0.47) ALDH1A1ELANEMAPK1L3MBTL1SLC6A2
SCHEMBL4418377 0.81 ALDH1A1 (0.50) ALDH1A1ELANEMAPK1L3MBTL1SLC6A2

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 ALDH1A1 2674/4885ELANE 123/4885MAPK1 1986/4885
US-20030013751-A1 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors DNPEP, PRSS1, PREP ALDH1A1 2388/4885ELANE 100/4885MAPK1 1472/4885
US-20060199822-A1 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors PRSS1, DNPEP, PREP ALDH1A1 2674/4885ELANE 123/4885MAPK1 1986/4885
US-20040063771-A1 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors DNPEP, PRSS1, PREP ALDH1A1 2388/4885ELANE 100/4885MAPK1 1472/4885

“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.