SCHEMBL691692

SCHEMBL691692

CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCCC12)C(=O)OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.67
KCNE1 P15382 1/20 0.67
KCNQ1 P51787 1/20 0.67
KCNH2 Q12809 1/20 0.67
SCN5A Q14524 1/20 0.67
KCND3 Q9UK17 1/20 0.67
MLNR O43193 1/20 0.46
ABCB11 O95342 1/20 0.46
LMNA P02545 1/20 0.46
CTSD P07339 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP3A5 P20815 1/20 0.46
CNR1 P21554 1/20 0.46
TBXAS1 P24557 1/20 0.46
ADRA1A P35348 1/20 0.46
CTSB P07858 1/20 0.42
SPPL2A Q8TCT8 1/20 0.42

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
SCHEMBL16803020 1.00 ABCB1 (0.67) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL8231341 1.00 ABCB1 (0.67) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL13140395 1.00 ABCB1 (0.67) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL24066659 0.95 ABCB1 (0.62) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL14440139 0.95 ABCB1 (0.62) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL14459537 0.92 ABCB1 (0.59) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL14524366 0.90 ABCB1 (0.66) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL25873509 0.89 ABCB1 (0.56) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL24066703 0.89 ABCB1 (0.56) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL25308489 0.88 ABCB1 (0.64) 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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960381-B1 AMINOPHENYLSULFONAMIDE DERIVATIVES AS HIV PROTEASE INHIBITOR JANSSEN SCIENCES IRELAND UC (IE) 2015-06-17 EP disclosed
EP-1960404-B1 SUBSTITUTED AMINOPHENYLSULFONAMIDE COMPOUNDS AS HIV PROTEASE INHIBITORS JANSSEN SCIENCES IRELAND UC (IE) 2015-06-17 EP disclosed
EP-2422780-A1 Resistance-repellent retroviral protease inhibitors Sequoia Pharmaceuticals, Inc. (US) 2012-02-29 EP disclosed
EP-2422781-A1 Resistance-repellent retroviral protease inhibitors Sequoia Pharmaceuticals, Inc. (US) 2012-02-29 EP disclosed
US-8084494-B2 benzenesulfon-yl]-isobutyl-amino}-1-benzyl-2-hydroxy-propyl)-carbamic Acid hexahydro-furo[2,3-b]furan-3-yl Ester; anti-retroviral agent such as dextran sulfate, suramine etc. AIDS TIBOTEC PHARMACEUTICALS LTD. (IE) 2011-12-27 US disclosed
US-7807845-B2 Resistance-repellent retroviral protease inhibitors SEQUOIA PHARMACEUTICALS, INC. (US) 2010-10-05 US disclosed
US-7803836-B2 Aminophenylsulfonamide derivatives as HIV protease inhibitor TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-09-28 US disclosed
US-20100056596-A1 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS (US) 2010-03-04 US disclosed
EP-1750696-A4 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS INC (US) 2009-07-15 EP disclosed
EP-1732891-A4 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS INC (US) 2009-05-06 EP disclosed
WO-2007060253-A1 SUBSTITUTED AMINOPHENYLSULFONAMIDE COMPOUNDS AS HIV PROTEASE INHIBITOR TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-05-31 WO disclosed
WO-2007060249-A1 AMINOPHENYLSULFONAMIDE DERIVATIVES AS HIV PROTEASE INHIBITOR TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-05-31 WO disclosed
WO-2005087728-A9 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS INC (US) 2007-04-26 WO disclosed
EP-1750696-A2 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS, INC. (US) 2007-02-14 EP disclosed
EP-1732891-A1 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS, INC. (US) 2006-12-20 EP disclosed
US-20060258627-A1 Resistance-repellent retroviral protease inhibitors SEQUOIA PHARMACEUTICALS (US) 2006-11-16 US disclosed
US-20050267074-A1 Resistance-repellent retroviral protease inhibitors SEQUOIA PHARMACEUTICALS (US) 2005-12-01 US disclosed
WO-2005110428-A2 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS, INC. (US) 2005-11-24 WO disclosed
US-20050209301-A1 Resistance-repellent retroviral protease inhibitors SEQUOIA PHARMACEUTICALS (US) 2005-09-22 US disclosed
WO-2005087728-A1 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS, INC. (US) 2005-09-22 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-20050267074-A1 Resistance-repellent retroviral protease inhibitors SERPINB1, MMP7, MME ABCB1 264/4885KCNE1 4350/4885KCNQ1 4503/4885
US-20060258627-A1 Resistance-repellent retroviral protease inhibitors SERPINB1, MMP7, MME ABCB1 264/4885KCNE1 4350/4885KCNQ1 4503/4885
US-20100056596-A1 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SERPINB1, MMP7, MME ABCB1 264/4885KCNE1 4350/4885KCNQ1 4503/4885
US-20050209301-A1 Resistance-repellent retroviral protease inhibitors SERPINB1, MMP7, MME ABCB1 264/4885KCNE1 4350/4885KCNQ1 4503/4885

“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.