SCHEMBL4970670

SCHEMBL4970670

CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)N(NC(=O)OCc1ccccc1)C(=O)CC(C)(C)C)S(=O)(=O)c1ccc2ncsc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPPL2A Q8TCT8 3/20 0.50
CYP3A4 P08684 3/20 0.44
ADAMTS4 O75173 1/20 0.41
MMP2 P08253 1/20 0.41
MMP13 P45452 1/20 0.41
MMP14 P50281 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41
MLNR O43193 1/20 0.36
ABCB11 O95342 1/20 0.36
LMNA P02545 1/20 0.36
CTSD P07339 1/20 0.36
CYP3A5 P20815 1/20 0.36
CNR1 P21554 1/20 0.36
TBXAS1 P24557 1/20 0.36
ADRA1A P35348 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36

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
SCHEMBL5024889 0.89 SPPL2A (0.43) SPPL2ACYP3A4ADAMTS4MMP2MMP13
SCHEMBL4973334 0.88 SPPL2A (0.42) SPPL2ACYP3A4ADAMTS4MMP2MMP13
SCHEMBL4974748 0.87 SPPL2A (0.41) SPPL2ACYP3A4ADAMTS4MMP2MMP13
SCHEMBL4974829 0.85 MEN1 (0.42) SPPL2ACYP3A4ADAMTS4MMP2MMP13
SCHEMBL4972760 0.85 SPPL2A (0.40) SPPL2ACYP3A4ADAMTS4MMP2MMP13
SCHEMBL5928343 0.85 SPPL2A (0.40) SPPL2ACYP3A4ADAMTS4MMP2MMP13
SCHEMBL14338904 0.84 SPPL2A (0.70) SPPL2ACYP3A4MLNRABCB11LMNA
SCHEMBL12156747 0.84 SPPL2A (0.70) SPPL2ACYP3A4MLNRABCB11LMNA
SCHEMBL5496721 0.83 SPPL2A (0.39) SPPL2ACYP3A4MLNRABCB11LMNA
SCHEMBL5024868 0.83 SPPL2A (0.44) SPPL2ACYP3A4ADAMTS4MMP2MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7339078-B2 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE LLC (US) 2008-03-04 US disclosed
US-20070037754-A1 Inhibitors of HIV protease; 2S-[[(N-methylamino)acetyl]amino]-N-[2R-hydroxy-3-[[(1,3-benzodioxol-5-yl)sulfonyl](2-methylpropyl)amino)-1S-(phenylmethyl)propyl]-3,3-dimethyl-butanamide G.D. SEARLE & CO. (US) 2007-02-15 US disclosed
US-7161033-B2 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G. D. SEARLE & CO. (US) 2007-01-09 US disclosed
US-20070004646-A1 Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2007-01-04 US disclosed
US-7141594-B2 inhibitors of HIV protease for treating AIDS G. D. SEARLE & CO. (US) 2006-11-28 US disclosed
US-20050227926-A1 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2005-10-13 US disclosed
US-20040198989-A1 Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2004-10-07 US disclosed
US-20030204097-A1 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2003-10-30 US disclosed
US-6407134-B1 VIRICIDE FOR HUMAN T-CELL LEUKEMIA/LYMPHOMA VIRUS G. D. SEARLE & CO. 2002-06-18 US disclosed
US-6388132-B1 AIDS THERAPY G. D. SEARLE & CO. 2002-05-14 US 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
US-6214861-B1 ENZYME INHIBITOR; VIRICIDES G.D. SEARLE & CO. 2001-04-10 US disclosed
US-6150556-A INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS(HIV) PROTEASE; PROPHYLAXIS AND THERAPY OF RETROVIRUS INFECTIONS G. D. DEARLE & CO. (US) 2000-11-21 US 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 (5 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-20040198989-A1 Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, ANPEP SPPL2A 333/4885CYP3A4 1731/4885ADAMTS4 1831/4885
US-20070037754-A1 Inhibitors of HIV protease; 2S-[[(N-methylamino)acetyl]amino]-N-[2R-hydroxy-3-[[(1,3-benzodioxol-5-yl)sulfonyl](2-methylpropyl)amino)-1S-(phenylmethyl)propyl]-3,3-dimethyl-butanamide DNPEP, PREP, ANPEP SPPL2A 197/4885CYP3A4 1389/4885ADAMTS4 1411/4885
US-20070004646-A1 Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, ANPEP SPPL2A 282/4885CYP3A4 1898/4885ADAMTS4 1685/4885
US-20050227926-A1 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, PRSS1 SPPL2A 654/4885CYP3A4 2307/4885ADAMTS4 1202/4885
US-20030204097-A1 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, PRSS1 SPPL2A 654/4885CYP3A4 2307/4885ADAMTS4 1202/4885

“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.