SCHEMBL4910936

SCHEMBL4910936

C[C@@H](CS(=O)(=O)N(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
HPGD P15428 2/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA1 P00915 5/20 0.42
CA2 P00918 5/20 0.42
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
TSHR P16473 1/20 0.42
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
CTSS P25774 2/20 0.41
CTSK P43235 2/20 0.41
ABCB1 P08183 1/20 0.41
ELANE P08246 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
SCHEMBL4910931 1.00 ALDH1A1 (0.47) ALDH1A1HPGDMAPTMAPK1L3MBTL1
SCHEMBL4914303 0.87 ALDH1A1 (0.45) ALDH1A1HPGDMAPTMAPK1L3MBTL1
SCHEMBL4911567 0.87 ALDH1A1 (0.44) ALDH1A1HPGDMAPTKMT2ACA1
SCHEMBL14601752 0.83 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL4911221 0.82 CA1 (0.51) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL4908120 0.82 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL4911216 0.82 CA1 (0.51) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL4908115 0.82 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL4904204 0.82 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL21399259 0.78 ALDH1A1 (0.53) ALDH1A1HPGDMAPTMAPK1L3MBTL1

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 2674/4885HPGD 1880/4885MAPT 1389/4885
US-20030013751-A1 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors DNPEP, PRSS1, PREP ALDH1A1 2388/4885HPGD 2119/4885MAPT 1422/4885
US-20060199822-A1 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors PRSS1, DNPEP, PREP ALDH1A1 2674/4885HPGD 1880/4885MAPT 1389/4885
US-20040063771-A1 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors DNPEP, PRSS1, PREP ALDH1A1 2388/4885HPGD 2119/4885MAPT 1422/4885

“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.