SCHEMBL5031172

SCHEMBL5031172

CC(C)CN(c1cccc(CC(C)CNC(=O)[C@H](NC(=O)CCl)C(C)(C)C)c1O)S(=O)(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.36
NFE2L2 Q16236 2/20 0.36
HSD11B1 P28845 1/20 0.36
MMP2 P08253 1/20 0.36
MMP13 P45452 1/20 0.36
LMNA P02545 4/20 0.35
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 3/20 0.34
USP2 O75604 2/20 0.34
MAPT P10636 2/20 0.34
MEP1B Q16820 1/20 0.34
TSHR P16473 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HPGD P15428 2/20 0.34
RORC P51449 2/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL5691171 0.90 ALDH1A1 (0.35) KEAP1NFE2L2HSD11B1MMP2MMP13
SCHEMBL6390909 0.88 HSD11B1 (0.37) KEAP1NFE2L2HSD11B1MMP2MMP13
SCHEMBL5691126 0.87 KEAP1 (0.39) KEAP1NFE2L2HSD11B1MMP2MMP13
SCHEMBL5688727 0.87 BMP1 (0.39) KEAP1NFE2L2MMP2LMNAALDH1A1
SCHEMBL5026438 0.85 PTGER1 (0.38) KEAP1NFE2L2MMP2MMP13LMNA
SCHEMBL7956674 0.84 KEAP1 (0.40) KEAP1NFE2L2HSD11B1MMP2MMP13
SCHEMBL5928386 0.84 MAPT (0.32) MAPTRORC
SCHEMBL7955245 0.83 KEAP1 (0.40) KEAP1NFE2L2HSD11B1MMP2MMP13
SCHEMBL5689205 0.83 KEAP1 (0.40) KEAP1NFE2L2HSD11B1MMP2MMP13
SCHEMBL5928586 0.82 MMP2 (0.40) KEAP1NFE2L2MMP2MMP13LMNA

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080118969-A1 BIS-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE LLC (US) 2008-05-22 US disclosed
US-20060240410-A1 Retroviral protease inhibitor combinations G.D. SEARLE & CO. (US) 2006-10-26 US disclosed
EP-1649871-A1 Retroviral protease inhibitor combinations G.D. Searle LLC. (US) 2006-04-26 EP disclosed
EP-0762880-B1 RETROVIRAL PROTEASE INHIBITOR COMBINATIONS SEARLE LLC (US) 2005-10-26 EP disclosed
US-6861539-B1 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G. D. SEARLE & CO. (US) 2005-03-01 US disclosed
US-20030207813-A1 Retroviral protease inhibitor combinations G.D. SEARLE (US) 2003-11-06 US disclosed
EP-0813542-B1 AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS SEARLE & CO (US) 2002-10-16 EP disclosed
EP-1188766-A1 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. Searle & Co. (US) 2002-03-20 EP disclosed
US-6316496-B1 FOR THERAPY OF RETROVIRAL INFECTION; PROPHYLAXIS OF REPLICATION OF RETROVIRUS, THERAPY OF AIDS (ACQUIRED IMMUNE DEFICIENCY SYNDROME) G. D. SEARLE & CO. 2001-11-13 US disclosed
US-6310080-B1 TREATING RETROVIRAL INFECTIONS SUCH AS AIDS G. D. SEARLE & CO. 2001-10-30 US disclosed
EP-1076062-A1 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2001-02-14 EP disclosed
US-6143788-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-6100277-A ADMINISTERING MIXTURE OF FIRST AND SECOND RETROVIRAL PROTEASE INHIBITOR WHEREIN SAID SECOND RETROVIRAL PROTEASE INHIBITOR IS EFFECTIVE AGAINST VIRAL STRAIN(S) RESISTANT TO FIRST INHIBITOR G.D. SEARLE & CO. (US) 2000-08-08 US disclosed
US-5968970-A TREATMENT OF HIV G. D. SEARLE & COMPANY (US) 1999-10-19 US disclosed
EP-0813542-A1 AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-12-29 EP disclosed
WO-1996028463-A1 AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-09-19 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 (1 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-20030207813-A1 Retroviral protease inhibitor combinations PREP, SERPINB1, PRSS1 KEAP1 2475/4885NFE2L2 3935/4885HSD11B1 2851/4885

“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.