SCHEMBL5174385

SCHEMBL5174385

[CH2]c1cccc(N(CC(C)C)S(=O)(=O)c2ccc3nc(N)sc3c2)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
LMNA P02545 3/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP2D6 P10635 1/20 0.43
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 1/20 0.39
PIK3CD O00329 3/20 0.39
PIK3CB P42338 3/20 0.39
PIK3CG P48736 3/20 0.39
PIK3CA P42336 2/20 0.39
RORC P51449 3/20 0.39
MAPT P10636 2/20 0.39
VDR P11473 1/20 0.39
GFER P55789 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
PI4KA P42356 2/20 0.38

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
SCHEMBL7450471 0.93 RORC (0.39) ALDH1A1LMNAHPGDHSD17B10KDM4E
SCHEMBL6871955 0.85 ALDH1A1 (0.41) ALDH1A1LMNAHPGDHSD17B10KDM4E
SCHEMBL5031155 0.83 RORC (0.40) ALDH1A1PKMRORCMAPTMAPK1
SCHEMBL8083391 0.81 RORC (0.32) KMT2ARORCBCL2L1MCL1
SCHEMBL7451743 0.80 RORC (0.45) ALDH1A1LMNAHSD17B10RORCBCL2L1
SCHEMBL6101123 0.79 CYP3A4 (0.37) ALDH1A1LMNAHPGDHSD17B10KDM4E
SCHEMBL7343868 0.79 RORC (0.47) CYP2C9RORCCYP2C19BCL2L1MCL1
SCHEMBL7609854 0.79 RORC (0.39) KMT2ARORCBCL2L1MCL1
SCHEMBL7450627 0.77 RORC (0.46) RORCBCL2L1MCL1
SCHEMBL2578313 0.76 MCL1 (0.50) ALDH1A1LMNAHPGDCYP2D6CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43802-E1 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2012-11-13 US claimed
US-RE43802-E1 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2012-11-13 US disclosed
EP-0804428-B1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS SEARLE LLC (US) 2007-12-26 EP disclosed
US-7141609-B2 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-11-28 US disclosed
US-7141594-B2 inhibitors of HIV protease for treating AIDS G. D. SEARLE & CO. (US) 2006-11-28 US disclosed
US-20060189611-A1 Amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-08-24 US disclosed
US-7091219-B2 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors G. D. SEARLE & CO. (US) 2006-08-15 US disclosed
US-20050267171-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2005-12-01 US disclosed
EP-1586558-A2 Bis-sulfonamide hydroxyethylamino retroviral protease inhinitors G.D. Searle LLC. (US) 2005-10-19 EP disclosed
US-6861539-B1 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G. D. SEARLE & CO. (US) 2005-03-01 US disclosed
US-6143788-A ENZYME INHIBITORS G.D. SEARLE & CO. (US) 2000-11-07 US disclosed
US-6143747-A ENZYME INHIBITORS G. D. SEARLE & CO. (US) 2000-11-07 US disclosed
US-6140505-A REACTING A BENZO FUSED HETEROCYCLIC COMPOUND WITH AN SO3 COMPLEX IN THE PRESENCE OF A WATER IMMISCIBLE, NON-REACTIVE SOLVENT, AT A TEMPERATURE OF FROM ABOUT 0 TO ABOUT 75 DEGREES C., COOLING AND THEN ADDING OXALYL HALIDE. G. D. SEARLE & CO. (US) 2000-10-31 US disclosed
US-6063795-A ENZYME INHIBITORS G.D. SEARLE & COMPANY (US) 2000-05-16 US disclosed
US-5972989-A Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 1999-10-26 US disclosed
US-5968942-A INHIBITORS OF HIV PROTEASE G. D. SEARLE & CO. (US) 1999-10-19 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
EP-0715618-B1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS SEARLE & CO (US) 1998-12-16 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 (2 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-20050267171-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP ALDH1A1 1555/4885LMNA 2140/4885HPGD 2056/4885
US-20060189611-A1 Amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, ANPEP ALDH1A1 3732/4885LMNA 3869/4885HPGD 2840/4885

“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.