SCHEMBL5029148

SCHEMBL5029148

CC(C)CN(c1cccc(C[C@@H](C)CN(NC(=O)OCc2ccccc2)C(=O)CC(C)(C)C)c1O)S(=O)(=O)c1ccc2ncsc2c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.38
SPPL2A Q8TCT8 1/20 0.36
ADAMTS4 O75173 1/20 0.33
MMP2 P08253 1/20 0.33
MMP13 P45452 1/20 0.33
MMP14 P50281 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
CASP1 P29466 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL7860088 0.83 CYP3A4 (0.39) CYP3A4SPPL2ACASP1
SCHEMBL4970670 0.76 SPPL2A (0.50) CYP3A4SPPL2AADAMTS4MMP2MMP13
Hydrochloric Acid SCHEMBL5027237 0.76 RORC (0.36) SPPL2AMAPTMAPK1
Bromide SCHEMBL5026539 0.75 MAPT (0.33) MAPTMAPK1
SCHEMBL7584054 0.71 KMT2A (0.39) MMP2MMP13
SCHEMBL5031155 0.70 RORC (0.40) SPPL2AMAPTMAPK1
SCHEMBL12156747 0.70 SPPL2A (0.70) CYP3A4SPPL2A
SCHEMBL14338904 0.70 SPPL2A (0.70) CYP3A4SPPL2A
Hydrochloric Acid SCHEMBL6700206 0.70 CYP11B2 (0.35) MAPT
SCHEMBL5031175 0.69 SPPL2A (0.37) SPPL2AMMP2MMP13MMP14

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 23 patents — showing the first 20. 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-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-6861539-B1 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G. D. SEARLE & CO. (US) 2005-03-01 US disclosed
US-20040260095-A1 Amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G. D. SEARLE & CO. (US) 2004-12-23 US disclosed
US-20040198989-A1 Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2004-10-07 US disclosed
US-6730669-B2 PROPHYLACTICALLY PREVENTING RETROVIRAL INFECTION OR THE SPREAD OF A RETROVIRUS, AND TREATMENT OF A RETROVIRAL INFECTION G. D. SEARLE & CO. 2004-05-04 US disclosed
US-6673822-B2 Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. 2004-01-06 US disclosed
US-20030216435-A1 Amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G. D. SEARLE & CO. 2003-11-20 US disclosed
US-20030130202-A1 Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. 2003-07-10 US disclosed
US-20020111368-A1 Amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors GETMAN DANIEL P (US) 2002-08-15 US disclosed
EP-1188766-A1 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. Searle & Co. (US) 2002-03-20 EP disclosed
US-6310080-B1 TREATING RETROVIRAL INFECTIONS SUCH AS AIDS G. D. SEARLE & CO. 2001-10-30 US disclosed
US-6214861-B1 ENZYME INHIBITOR; VIRICIDES G.D. SEARLE & CO. 2001-04-10 US 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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20030216435-A1 Amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, ANPEP CYP3A4 2633/4885SPPL2A 268/4885ADAMTS4 2006/4885
US-20040198989-A1 Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, ANPEP CYP3A4 1731/4885SPPL2A 333/4885ADAMTS4 1831/4885
US-20020111368-A1 Amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, ANPEP CYP3A4 2633/4885SPPL2A 268/4885ADAMTS4 2006/4885
US-20040260095-A1 Amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, ANPEP CYP3A4 2633/4885SPPL2A 268/4885ADAMTS4 2006/4885
US-20030130202-A1 Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, ANPEP CYP3A4 1731/4885SPPL2A 333/4885ADAMTS4 1831/4885
US-20060189611-A1 Amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, ANPEP CYP3A4 2633/4885SPPL2A 268/4885ADAMTS4 2006/4885

“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.