SCHEMBL4702999

SCHEMBL4702999

CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCCC12)S(=O)(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.80
KCNE1 P15382 1/20 0.80
KCNQ1 P51787 1/20 0.80
KCNH2 Q12809 1/20 0.80
SCN5A Q14524 1/20 0.80
KCND3 Q9UK17 1/20 0.80
MLNR O43193 1/20 0.57
ABCB11 O95342 1/20 0.57
LMNA P02545 1/20 0.57
CTSD P07339 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP3A5 P20815 1/20 0.57
CNR1 P21554 1/20 0.57
TBXAS1 P24557 1/20 0.57
ADRA1A P35348 1/20 0.57

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
SCHEMBL1094640 1.00 ABCB1 (0.80) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL1094642 1.00 ABCB1 (0.80) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL6051107 0.94 ABCB1 (0.79) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL6051109 0.94 ABCB1 (0.79) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL8143107 0.94 ABCB1 (0.71) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL4344434 0.94 ABCB1 (0.77) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL4344430 0.94 ABCB1 (0.77) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL22580344 0.93 ABCB1 (0.69) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL13617628 0.93 ABCB1 (0.74) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL6061067 0.93 ABCB1 (0.73) ABCB1KCNE1KCNQ1KCNH2SCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1222192-B1 HEXAHYDROFURO¬2,3-B FURAN-3-YL-N- 3-¬(1,3-BENZODIOXOL-5-YLSULFONYL)(ISOBUTYL)AMINO -1-BENZYL-2-HYDROXYPROPYL CARBAMATE AS RETROVIRAL PROTEASE INHIBITOR TIBOTEC PHARM LTD (IE) 2008-06-18 EP disclosed
US-7157495-B2 Hexahydrofuro[2,3-B]furan-3-YL-N-{3-[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl)amino]-1-benzyl-2-hydroxypropyl}carbamate as retroviral protease inhibitor TIBOTEC PHARMACEUTICALS, LTD. (IE) 2007-01-02 US disclosed
US-7157495-B2 Hexahydrofuro[2,3-B]furan-3-YL-N-{3-[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl)amino]-1-benzyl-2-hydroxypropyl}carbamate as retroviral protease inhibitor TIBOTEC PHARMACEUTICALS, LTD. (IE) 2007-01-02 US disclosed
US-7157495-B2 Hexahydrofuro[2,3-B]furan-3-YL-N-{3-[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl)amino]-1-benzyl-2-hydroxypropyl}carbamate as retroviral protease inhibitor TIBOTEC PHARMACEUTICALS, LTD. (IE) 2007-01-02 US disclosed
US-7157495-B2 Hexahydrofuro[2,3-B]furan-3-YL-N-{3-[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl)amino]-1-benzyl-2-hydroxypropyl}carbamate as retroviral protease inhibitor TIBOTEC PHARMACEUTICALS, LTD. (IE) 2007-01-02 US disclosed
US-20050261364-A1 Hexahydrofuro[2,3-b]furan-3-yl-N-{3-[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl)amino]-1-benzyl-2-hydroxypropyl}carbamate as retroviral protease inhibitor JANSSEN SCIENCES IRELAND UC (IE) 2005-11-24 US disclosed
US-20050261364-A1 Hexahydrofuro[2,3-b]furan-3-yl-N-{3-[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl)amino]-1-benzyl-2-hydroxypropyl}carbamate as retroviral protease inhibitor JANSSEN SCIENCES IRELAND UC (IE) 2005-11-24 US disclosed
CN-1191256-C Hexahydrofuro[2,3-b]furan-3-yl-N-{3-[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl) aminol]-1-benzyl-2-hydroxypropyl}carbamate as retroviral protease inhibitor TIBOTEC PHARM LTD (IE) 2005-03-02 CN disclosed
US-6649651-B1 AIDS; human T-cell lymphoma/leukemia virus or lymphadenopathy associated virus treatment TIBOTEC PHARMACEUTICALS LTD (IE) 2003-11-18 US disclosed
US-6649651-B1 AIDS; human T-cell lymphoma/leukemia virus or lymphadenopathy associated virus treatment TIBOTEC PHARMACEUTICALS LTD (IE) 2003-11-18 US disclosed
CN-1407987-A Hexahydrofuro[2,3-b]furan-3-yl-N-{3-[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl) aminol]-1-benzyl-2-hydroxypropyl}carbamate as retroviral protease inhibitor TIBOTEC NV (IE) 2003-04-02 CN 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-20050261364-A1 Hexahydrofuro[2,3-b]furan-3-yl-N-{3-[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl)amino]-1-benzyl-2-hydroxypropyl}carbamate as retroviral protease inhibitor HPN, DNPEP, DPEP1 ABCB1 2045/4885KCNE1 4155/4885KCNQ1 4544/4885

“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.