Sugi Predict

Sugi Predict / Compounds / SCHEMBL2906368

SCHEMBL2906368

SCHEMBL2906368

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SPPL2A Q8TCT8 1/20 0.56
▸ MLNR O43193 1/20 0.54
▸ ABCB11 O95342 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ CTSD P07339 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP3A5 P20815 1/20 0.54
▸ CNR1 P21554 1/20 0.54
▸ TBXAS1 P24557 1/20 0.54
▸ ADRA1A P35348 1/20 0.54
▸ ABCB1 P08183 1/20 0.51
▸ KCNE1 P15382 1/20 0.51
▸ KCNQ1 P51787 1/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ SCN5A Q14524 1/20 0.51
▸ KCND3 Q9UK17 1/20 0.51

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
SCHEMBL28799797 1.00 SPPL2A (0.56) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL2906364 1.00 SPPL2A (0.56) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL13567460 0.92 SPPL2A (0.55) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL4346985 0.91 ADAMTS4 (0.56) SPPL2A
SCHEMBL4346988 0.91 ADAMTS4 (0.56) SPPL2A
SCHEMBL13331712 0.91 SPPL2A (0.63) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL13361100 0.91 SPPL2A (0.63) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL469816 0.90 SPPL2A (0.51) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL10034611 0.90 SPPL2A (0.54) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL12050564 0.90 SPPL2A (0.51) SPPL2AMLNRABCB11LMNACTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653141-B2 HIV protease inhibiting compounds ABBVIE INC. (US) 2014-02-18 — — US disclosed
US-20130211108-A1 NOVEL PROCESS FOR THE PREPARATION OF (3S)-TETRAHYDROFURAN-3-YL (IS, 2R)-3-[[(4-AMINOPHENYL) SULFONYL] (ISOBUTYL) AMINO]-1-BENZYL-2-(PHOSPHONOOXY) PROPYLCARBAMATE AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS MYLAN LABORATORIES LTD 2013-08-15 — — US disclosed
EP-2264032-B1 HIV PROTEASE INHIBITING SULFONAMIDES ABBVIE INC (US) 2013-08-07 — — EP disclosed
US-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2013-01-24 — — US disclosed
EP-2216334-B1 HIV protease inhibiting sulfonamides ABBOTT LAB (US) 2012-10-31 — — EP disclosed
WO-2011158259-A1 NOVEL PROCESS FOR THE PREPARATION OF (3S)-TETRAHYDROFURAN-3-YL (IS, 2R)-3-[[(4-AMINOPHENYL) SULFONYL] (ISOBUTYL) AMINO]-1-BENZYL-2-(PHOSPHONOOXY) PROPYLCARBAMATE AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF MATRIX LABORATORIES LTD (IN) 2011-12-22 — — WO disclosed
EP-2264032-A2 Hiv protease inhibiting sulfonamides Abbott Laboratories (US) 2010-12-22 — — EP disclosed
EP-2216334-A1 Hiv protease inhibiting sulfonamides Abbott Laboratories (US) 2010-08-11 — — EP disclosed
EP-1709037-B1 HIV PROTEASE INHIBITING SULFONAMIDES ABBOTT LAB (US) 2009-12-23 — — EP disclosed
US-20030100537-A1 Calcium (3S) tetrahydro-3-furanyl (1S,2R)-3-[[(4-aminophenyl)sulfonyl](isobutyl)amino]-1-benzyl-2-(phos-phonooxy)propylcarbamate ARMITAGE IAN GORDON (GB) 2003-05-29 — — US disclosed
US-20030096795-A1 Calcium (3S) tetrahydro-3-furanyl (1S,2R)-3-[[(4-aminophenyl)sulfonyl](isobutyl)amino]-1-benzyl-2-(phos-phonooxy)propylcarbamate ARMITAGE IAN GORDON (GB) 2003-05-22 — — US disclosed
US-6514953-B1 For the treatment of an HIV infection in a human SMITHKLINE BEECHAM CORPORATION 2003-02-04 — — US disclosed
EP-1098898-B1 CALCIUM (3S) TETRAHYDRO-3-FURANYL(1S,2R)-3-[[(4-AMINOPHENYL) SULFONYL] (ISOBUTYL) AMINO] -1-BENZYL-2- (PHOSPHONOOXY) PROPYLCARBAMATE GLAXO GROUP LTD (GB) 2002-12-18 — — EP disclosed
EP-1240903-A2 Combination of calcium (3S) tetrahydro-3-furanyl(1S,2R)-3- [[(4-aminophenyl)sulfonyl](isobutyl)amino]-1-benzyl-2-(phosphonooxy) propylcarbamate with ritonavir GLAXO GROUP LIMITED (GB) 2002-09-18 — — EP disclosed
EP-1098898-A1 CALCIUM (3S) TETRAHYDRO-3-FURANYL(1S,2R)-3- (4-AMINOPHENYL) SULFONYL] (ISOBUTYL) AMINO] -1-BENZYL-2- (PHOSPHONOOXY) PROPYLCARBAMATE GLAXO GROUP LIMITED (GB) 2001-05-16 — — EP disclosed
WO-2000004033-A1 CALCIUM (3S) TETRAHYDRO-3-FURANYL(1S,2R)-3-[[(4-AMINOPHENYL) SULFONYL] (ISOBUTYL) AMINO] -1-BENZYL-2- (PHOSPHONOOXY) PROPYLCARBAMATE GLAXO GROUP LIMITED (GB) 2000-01-27 — — 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 (4 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-20130211108-A1 NOVEL PROCESS FOR THE PREPARATION OF (3S)-TETRAHYDROFURAN-3-YL (IS, 2R)-3-[[(4-AMINOPHENYL) SULFONYL] (ISOBUTYL) AMINO]-1-BENZYL-2-(PHOSPHONOOXY) PROPYLCARBAMATE AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS PFKFB3, PFKFB1, PFKFB4 SPPL2A 1884/4885MLNR 2371/4885ABCB11 2213/4885
US-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS SERPINB1, HPN, DNPEP SPPL2A 1106/4885MLNR 3723/4885ABCB11 2264/4885
US-20030096795-A1 Calcium (3S) tetrahydro-3-furanyl (1S,2R)-3-[[(4-aminophenyl)sulfonyl](isobutyl)amino]-1-benzyl-2-(phos-phonooxy)propylcarbamate APBA1, CACNB3, ORAI1 SPPL2A 2825/4885MLNR 3931/4885ABCB11 3049/4885
US-20030100537-A1 Calcium (3S) tetrahydro-3-furanyl (1S,2R)-3-[[(4-aminophenyl)sulfonyl](isobutyl)amino]-1-benzyl-2-(phos-phonooxy)propylcarbamate APBA1, CACNB3, ORAI1 SPPL2A 2825/4885MLNR 3931/4885ABCB11 3049/4885

“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.