SCHEMBL2582228

SCHEMBL2582228

CC(C)CN(C[C@H](O)[CH]Cc1ccccc1)S(=O)(=O)c1ccc(N(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 2/20 0.53
CNR2 P34972 1/20 0.49
TAS2R14 Q9NYV8 1/20 0.48
MMP2 P08253 4/20 0.47
MMP13 P45452 4/20 0.47
MMP9 P14780 3/20 0.47
MMP8 P22894 3/20 0.47
RORC P51449 11/20 0.47
SPPL2A Q8TCT8 2/20 0.44
MMP14 P50281 2/20 0.44
MMP1 P03956 1/20 0.44
ADAM17 P78536 1/20 0.44
ADAMTS4 O75173 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 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
SCHEMBL2581195 0.91 TAS2R14 (0.51) MMP3CNR2TAS2R14MMP2MMP13
SCHEMBL2577597 0.88 TAS2R14 (0.50) MMP3TAS2R14MMP2MMP13MMP9
SCHEMBL8021812 0.87 SPPL2A (0.50) MMP3TAS2R14MMP2MMP13MMP9
SCHEMBL3575750 0.87 TAS2R14 (0.49) MMP3CNR2TAS2R14MMP2MMP13
SCHEMBL2579683 0.87 SPPL2A (0.50) MMP3TAS2R14MMP2MMP13MMP9
SCHEMBL6473313 0.87 SPPL2A (0.50) MMP3CNR2TAS2R14MMP2MMP13
SCHEMBL15157850 0.87 TAS2R14 (0.49) MMP3CNR2TAS2R14MMP2MMP13
SCHEMBL2580146 0.85 ADAMTS4 (0.50) MMP3TAS2R14MMP2MMP13MMP14
SCHEMBL8543563 0.84 HIF1A (0.46) MMP3TAS2R14MMP2MMP13MMP9
SCHEMBL2575761 0.84 HIF1A (0.46) MMP3TAS2R14MMP2MMP13MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43596-E1 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2012-08-21 US disclosed
US-RE42889-E1 α- and β- amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2011-11-01 US disclosed
US-7829564-B2 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2010-11-09 US disclosed
US-7531538-B2 α- and β-Amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2009-05-12 US disclosed
US-20090023664-A1 ALPHA- AND BETA-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE LLC (US) 2009-01-22 US disclosed
US-7320983-B2 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2008-01-22 US disclosed
US-7297793-B2 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors G.D. SEARLE, LLC (US) 2007-11-20 US disclosed
US-20070078173-A1 Alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2007-04-05 US disclosed
US-20060276493-A1 alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D SEARLE & CO. (US) 2006-12-07 US disclosed
US-7115618-B2 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-10-03 US disclosed
US-6335460-B1 TREATING RETROVIRAL INFECTIONS, INCLUDING HUMAN IMMUNODEFICIENCY VIRUS, AND AIDS G.D. SEARLE & CO. 2002-01-01 US disclosed
US-6248775-B1 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G. D. SEARLE & CO. 2001-06-19 US disclosed
US-6172082-B1 TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTIONS G. D. SEARLE & CO. 2001-01-09 US disclosed
US-6143747-A ENZYME INHIBITORS G. D. SEARLE & CO. (US) 2000-11-07 US disclosed
US-6060476-A α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G. D. SEARLE & CO. (US) 2000-05-09 US disclosed
US-6046190-A FOR INHIBITING RETROVIRAL PROTEASES SUCH AS HUMAN IMMUNODEFICIENCY VIRUS G.D. SEARLE & CO. (US) 2000-04-04 US disclosed
US-5968942-A INHIBITORS OF HIV PROTEASE G. D. SEARLE & CO. (US) 1999-10-19 US disclosed
EP-0656887-B1 HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS SEARLE & CO (US) 1998-10-28 EP disclosed
WO-1996022287-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-07-25 WO disclosed
WO-1995006030-A1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-03-02 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 (3 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-20090023664-A1 ALPHA- AND BETA-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS DNPEP, ASPH, PREP MMP3 350/4885CNR2 4813/4885TAS2R14 4315/4885
US-20060276493-A1 alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP MMP3 389/4885CNR2 4828/4885TAS2R14 4312/4885
US-20070078173-A1 Alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP MMP3 350/4885CNR2 4813/4885TAS2R14 4315/4885

“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.