SCHEMBL5070859

SCHEMBL5070859

CCC1SCCSC1CC

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30

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
SCHEMBL5068259 0.74
SCHEMBL26557779 0.68
SCHEMBL12931384 0.66 MGAM (0.33) MGAMGAASIMGAM2
SCHEMBL5072454 0.64
SCHEMBL14477535 0.63
SCHEMBL24133341 0.62
SCHEMBL12144147 0.62
SCHEMBL2327010 0.59
SCHEMBL12056244 0.59
SCHEMBL17147559 0.57

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
EP-1505094-B1 THIOURETHANE-BASED OPTICAL MATERIAL MITSUI CHEMICALS INC (JP) 2014-01-22 EP disclosed
US-8039623-B2 Peptidomimetics compound; viricides; interference in life cycle og hepatitis c virus VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-10-18 US disclosed
US-7919520-B2 Inhibitors of tace VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-05 US disclosed
US-20100330109-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-30 US disclosed
US-7683033-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-23 US disclosed
US-20090176782-A1 INHIBITORS OF TACE VERTEX PHARMACEUTICALS INCORPORATED 2009-07-09 US disclosed
US-7485664-B2 Inhibitors of TACE VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-03 US disclosed
US-7396900-B2 Thiourethane-based optical material MITSUI CHEMICALS, INC. (JP) 2008-07-08 US disclosed
US-20080045480-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED 2008-02-21 US disclosed
US-20070292933-A1 Inhibitors of serine proteases, particular HCV NS3-NS4A protease PITLIK JANOS 2007-12-20 US disclosed
US-7273885-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-25 US disclosed
US-7244808-B2 Thiourethane-based optical material MITSUI CHEMICALS, INC. (JP) 2007-07-17 US disclosed
US-20070161789-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED 2007-07-12 US disclosed
US-7241796-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INC. (US) 2007-07-10 US disclosed
US-20070149822-A1 Thiourethane-based optical material MITSUI CHEMICALS, INC. (JP) 2007-06-28 US disclosed
US-7208600-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-04-24 US disclosed
US-20050131203-A1 Thiourethane-based optical material MITSUI CHEMICALS, INC. (JP) 2005-06-16 US disclosed
EP-1505094-A1 THIOURETHANE-BASED OPTICAL MATERIAL Mitsui Chemicals, Inc. (JP) 2005-02-09 EP 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 (6 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-20070292933-A1 Inhibitors of serine proteases, particular HCV NS3-NS4A protease SERPINB1, PRSS1, SPINT2 MGAM 2933/4885GAA 515/4885SI 221/4885
US-20100330109-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE PRSS1, SERPINB1, SPINT2 MGAM 2871/4885GAA 493/4885SI 187/4885
US-20070161789-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease PRSS1, SERPINB1, SPINT2 MGAM 2871/4885GAA 493/4885SI 187/4885
US-20070149822-A1 Thiourethane-based optical material TST, TMT1A, TCOF1 MGAM 1797/4885GAA 4706/4885SI 1812/4885
US-20080045480-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease SERPINB1, PRSS1, SPINT2 MGAM 2692/4885GAA 1117/4885SI 391/4885
US-20090176782-A1 INHIBITORS OF TACE HDGF, ADAM17, PCSK9 MGAM 2611/4885GAA 28/4885SI 251/4885

“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.