SCHEMBL2585419

SCHEMBL2585419

CC(C)CCN(C[C@H](O)[CH]Cc1ccccc1)S(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 10/20 0.46
BACE1 P56817 5/20 0.43
CNR2 P34972 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
MMP2 P08253 2/20 0.39
MMP13 P45452 2/20 0.39
MMP14 P50281 2/20 0.39
ADAMTS4 O75173 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
ADAM17 P78536 1/20 0.39

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
SCHEMBL7460187 0.92 BACE1 (0.48) RORCBACE1CNR2TAS2R14ADAMTS5
SCHEMBL2581195 0.90 TAS2R14 (0.51) RORCBACE1CNR2TAS2R14MMP2
SCHEMBL2577597 0.83 TAS2R14 (0.50) RORCTAS2R14MMP2MMP13MMP14
SCHEMBL2579683 0.82 SPPL2A (0.50) RORCBACE1TAS2R14MMP2MMP13
SCHEMBL8021812 0.82 SPPL2A (0.50) RORCBACE1TAS2R14MMP2MMP13
SCHEMBL3575750 0.82 TAS2R14 (0.49) RORCCNR2TAS2R14MMP2MMP13
SCHEMBL6473313 0.82 SPPL2A (0.50) RORCBACE1CNR2TAS2R14MMP2
SCHEMBL15157850 0.82 TAS2R14 (0.49) RORCCNR2TAS2R14MMP2MMP13
SCHEMBL2582228 0.81 MMP3 (0.53) RORCCNR2TAS2R14MMP2MMP13
SCHEMBL2580146 0.80 ADAMTS4 (0.50) BACE1TAS2R14MMP2MMP13MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0715618-B1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS SEARLE & CO (US) 1998-12-16 EP 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
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-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-6455581-B1 INHIBITORS OF HIV PROTEASE. G.D. SEARLE & CO. 2002-09-24 US disclosed
US-6417387-B1 IN PARTICULAR AS INHIBITORS OF HIV PROTEASE. G.D. SEARLE & CO. 2002-07-09 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-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-A1 HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-06-14 EP disclosed
WO-1995006030-A1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-03-02 WO disclosed
WO-1994004492-A1 HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1994-03-03 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 RORC 3253/4885BACE1 18/4885CNR2 4813/4885
US-20060276493-A1 alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP RORC 3243/4885BACE1 20/4885CNR2 4828/4885
US-20070078173-A1 Alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP RORC 3253/4885BACE1 18/4885CNR2 4813/4885

“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.