SCHEMBL2579683

SCHEMBL2579683

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPPL2A Q8TCT8 2/20 0.50
RORC P51449 11/20 0.49
TAS2R14 Q9NYV8 1/20 0.49
MLNR O43193 1/20 0.47
ABCB11 O95342 1/20 0.47
LMNA P02545 1/20 0.47
CTSD P07339 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP3A5 P20815 1/20 0.47
CNR1 P21554 1/20 0.47
TBXAS1 P24557 1/20 0.47
ADRA1A P35348 1/20 0.47
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
BACE1 P56817 1/20 0.46
MMP2 P08253 2/20 0.45

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
SCHEMBL8021812 1.00 SPPL2A (0.50) SPPL2ARORCTAS2R14MLNRABCB11
SCHEMBL2581195 0.92 TAS2R14 (0.51) SPPL2ARORCTAS2R14PSEN1PSEN2
SCHEMBL2577597 0.89 TAS2R14 (0.50) SPPL2ARORCTAS2R14PSEN1PSEN2
SCHEMBL27667867 0.89 RORC (0.50) SPPL2ARORCTAS2R14MLNRABCB11
SCHEMBL6473313 0.88 SPPL2A (0.50) SPPL2ARORCTAS2R14CNR1PSEN1
SCHEMBL3575750 0.88 TAS2R14 (0.49) SPPL2ARORCTAS2R14CNR1MMP2
SCHEMBL15157850 0.88 TAS2R14 (0.49) SPPL2ARORCTAS2R14PSEN1PSEN2
SCHEMBL2578310 0.88 SPPL2A (0.50) SPPL2ARORCTAS2R14MLNRABCB11
SCHEMBL27744809 0.88 SPPL2A (0.50) SPPL2ARORCTAS2R14PSEN1PSEN2
SCHEMBL2582228 0.87 MMP3 (0.53) SPPL2ARORCTAS2R14PSEN1PSEN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43802-E1 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2012-11-13 US claimed
US-RE42889-E1 α- and β- amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2011-11-01 US claimed
US-20030191319-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. 2003-10-09 US claimed
WO-1995006030-A1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-03-02 WO claimed
US-8592161-B2 Mutational profiles in HIV-1 protease correlated with phenotypic drug resistance JANSSEN R&D IRELAND (IE) 2013-11-26 US disclosed
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
EP-1520247-B1 MUTATIONAL PROFILES IN HIV-1 PROTEASE CORRELATED WITH PHENOTYPIC DRUG RESISTANCE TIBOTEC PHARM LTD (IE) 2009-05-27 EP 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-20080118969-A1 BIS-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE LLC (US) 2008-05-22 US disclosed
US-7339078-B2 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE LLC (US) 2008-03-04 US disclosed
US-7297793-B2 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors G.D. SEARLE, LLC (US) 2007-11-20 US disclosed
US-5968942-A INHIBITORS OF HIV PROTEASE G. D. SEARLE & CO. (US) 1999-10-19 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
EP-0715618-B1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS SEARLE & CO (US) 1998-12-16 EP disclosed
WO-1996028418-A1 SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-09-19 WO disclosed
WO-1996028463-A1 AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-09-19 WO 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 (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-20030191319-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP SPPL2A 180/4885RORC 3583/4885TAS2R14 4157/4885

“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.