Sugi Predict

Sugi Predict / Compounds / SCHEMBL4336849

SCHEMBL4336849

SCHEMBL4336849

O=C(OC1CCCCC1)[C@@H]1CCCN1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 2/20 0.41
▸ NOS2 P35228 2/20 0.41
▸ NOS3 P29474 1/20 0.41
▸ NOS1 P29475 1/20 0.41
▸ DPP4 P27487 4/20 0.39
▸ FABP7 O15540 1/20 0.38
▸ FABP5 Q01469 1/20 0.38
▸ DPP8 Q6V1X1 2/20 0.38
▸ DPP9 Q86TI2 2/20 0.38
▸ HTR2C P28335 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ FAP Q12884 1/20 0.37
▸ DPP7 Q9UHL4 1/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36

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
SCHEMBL7775106 1.00 EPHX1 (0.41) EPHX1NOS2NOS3NOS1DPP4
SCHEMBL2637808 0.98 NOS2 (0.42) EPHX1NOS2NOS3NOS1DPP4
SCHEMBL27795896 0.92 EPHX1 (0.39) EPHX1NOS2NOS3NOS1FABP7
SCHEMBL2494402 0.92 NOS2 (0.43) NOS2NOS3NOS1DPP4DPP8
SCHEMBL27796013 0.90 NOS2 (0.38) EPHX1NOS2NOS3NOS1DPP4
SCHEMBL27795961 0.90 NOS2 (0.38) EPHX1NOS2NOS3NOS1DPP4
SCHEMBL18394515 0.86 NOS2 (0.39) NOS2NOS3NOS1DPP4DPP8
SCHEMBL28883263 0.84 NOS2 (0.33) EPHX1NOS2NOS3NOS1DPP4
SCHEMBL24628581 0.83 EPHX1 (0.44) EPHX1FABP7FABP5CYP2C19CA12
SCHEMBL27775234 0.83 NOS2 (0.36) NOS2NOS3NOS1DPP4DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130316945-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-28 — — US disclosed
US-8426359-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-23 — — US disclosed
WO-2012166544-A1 D-SERINE TRANSPORTER INHIBITORS AS PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ALLERGAN, INC. (US) 2012-12-06 — — WO disclosed
CN-101462996-B Preparation of 4-cyclohexyl proline derivative SHANGHAI INST PHARM INDUSTRY 2011-04-20 — — CN disclosed
US-7906550-B2 Viricide against hepatitis virus; pyrrole derivatives as, for example, 3-acetyl-4,5-dimethyl-2-pyrrole carboxylic acid VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-15 — — US disclosed
US-20090291902-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-26 — — US disclosed
CN-101462996-A Preparation of 4-cyclohexyl proline derivative SHANGHAI INST PHARM INDUSTRY (CN) 2009-06-24 — — CN disclosed
US-20080125376-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2008-05-29 — — US disclosed
US-7365092-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-04-29 — — US disclosed
EP-1664091-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE Vertex Pharmaceuticals Incorporated (US) 2006-06-07 — — EP disclosed
EP-1613620-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE Vertex Pharmaceuticals Incorporated (US) 2006-01-11 — — EP disclosed
US-20050119189-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED 2005-06-02 — — US disclosed
US-20050080017-A1 Inhibitors of serine proteases, particularly HVC NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED 2005-04-14 — — US disclosed
WO-2005028502-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS, INCORPORATED (US) 2005-03-31 — — WO disclosed
WO-2004092161-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-10-28 — — WO disclosed
EP-1135398-A1 CYANOPHOSPHONAMIDES AND METHOD FOR PREPARATION Monsanto Technology LLC (US) 2001-09-26 — — EP disclosed
US-6218563-B1 Cyanophosphonamides and method for preparation MONSANTO COMPANY 2001-04-17 — — US disclosed
WO-2000032611-A1 CYANOPHOSPHONAMIDES AND METHOD FOR PREPARATION MONSANTO TECHNOLOGY LLC (US) 2000-06-08 — — 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 (5 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-20090291902-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE PRSS1, SERPINB1, SPINT2 EPHX1 1189/4885NOS2 2561/4885NOS3 1698/4885
US-20050119189-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease PRSS1, SERPINB1, SPINT2 EPHX1 1189/4885NOS2 2561/4885NOS3 1698/4885
US-20080125376-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE PRSS1, SERPINB1, SPINT2 EPHX1 1191/4885NOS2 2562/4885NOS3 1657/4885
US-20050080017-A1 Inhibitors of serine proteases, particularly HVC NS3-NS4A protease HPN, PRSS1, SERPINB1 EPHX1 1537/4885NOS2 2327/4885NOS3 1620/4885
US-20130316945-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE PRSS1, SERPINB1, SPINT2 EPHX1 1189/4885NOS2 2561/4885NOS3 1698/4885

“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.