SCHEMBL4914306

SCHEMBL4914306

CC(CC(=O)OCc1ccccc1)S(=O)(=O)N(C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 2/20 0.49
ALDH1A1 P00352 4/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
ABCB1 P08183 2/20 0.44
LMNA P02545 1/20 0.42
CDC25B P30305 1/20 0.42
MMP9 P14780 1/20 0.41
CA12 O43570 2/20 0.41
LIMK2 P53671 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL4911569 0.84 SLC15A1 (0.49) SLC15A1ALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL4910667 0.80 ALDH1A1 (0.42) ALDH1A1L3MBTL1MAPTLMNACA12
SCHEMBL4904208 0.79 SLC15A1 (0.54) SLC15A1ALDH1A1MAPK1L3MBTL1ABCB1
Sulfuric Acid SCHEMBL2424723 0.76 SLC15A1 (0.58) SLC15A1ALDH1A1MAPK1L3MBTL1ABCB1
Sulfuric Acid SCHEMBL2424724 0.76 SLC15A1 (0.58) SLC15A1ALDH1A1MAPK1L3MBTL1ABCB1
SCHEMBL84418 0.75 SLC15A1 (0.63) SLC15A1ALDH1A1MAPK1L3MBTL1ABCB1
SCHEMBL7207073 0.75 SLC15A1 (0.63) SLC15A1ALDH1A1MAPK1L3MBTL1ABCB1
SCHEMBL6566591 0.75 SLC15A1 (0.63) SLC15A1ALDH1A1MAPK1L3MBTL1ABCB1
SCHEMBL111390 0.75 ALDH1A1 (0.61) SLC15A1ALDH1A1MAPK1L3MBTL1ABCB1
SCHEMBL4914303 0.75 ALDH1A1 (0.45) ALDH1A1MAPK1L3MBTL1MAPTHPGD

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 13 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
EP-0804428-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-11-05 EP 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 SLC15A1 1505/4885ALDH1A1 2674/4885MAPK1 1986/4885
US-20030013751-A1 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors DNPEP, PRSS1, PREP SLC15A1 1119/4885ALDH1A1 2388/4885MAPK1 1472/4885
US-20060199822-A1 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors PRSS1, DNPEP, PREP SLC15A1 1505/4885ALDH1A1 2674/4885MAPK1 1986/4885
US-20040063771-A1 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors DNPEP, PRSS1, PREP SLC15A1 1119/4885ALDH1A1 2388/4885MAPK1 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.