SCHEMBL8284359

SCHEMBL8284359

CCC[C@H](NC(=O)OCc1ccccc1)C(=O)NS(=O)(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.61
CTSL P07711 5/20 0.56
CTSS P25774 3/20 0.56
CASP1 P29466 1/20 0.56
BCL2 P10415 1/20 0.50
CA1 P00915 1/20 0.49
CTSB P07858 2/20 0.49
SIRT2 Q8IXJ6 5/20 0.48
SIRT1 Q96EB6 4/20 0.48
SIRT3 Q9NTG7 3/20 0.48
F2 P00734 1/20 0.48
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48

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
SCHEMBL12213922 0.82 BCL2 (0.61) CTSKCTSLCTSSBCL2CTSB
SCHEMBL22144261 0.81 CTSK (0.66) CTSKCTSLCTSSCTSBSIRT2
SCHEMBL265783 0.81 CTSK (0.66) CTSKCTSLCTSSCTSBSIRT2
SCHEMBL265461 0.81 CTSK (0.66) CTSKCTSLCTSSCTSBSIRT2
SCHEMBL329038 0.81 CTSK (0.66) CTSKCTSLCTSSCTSBSIRT2
SCHEMBL20381057 0.81 CTSK (0.66) CTSKCTSLCTSSCTSBSIRT2
SCHEMBL17123408 0.81 CASP1 (0.53) CTSKCTSLCTSSCASP1CA1
SCHEMBL15757065 0.80 CTSK (0.65) CTSKCTSLCTSSCTSBSIRT2
SCHEMBL22161320 0.80 CTSK (0.65) CTSKCTSLCTSSCTSBSIRT2
SCHEMBL15613297 0.80 CTSK (0.65) CTSKCTSLCTSSCTSBSIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10172846-B2 HCV NS-3 serine protease inhibitors MEDIVIR AB (SE) 2019-01-08 US disclosed
US-20170196849-A1 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2017-07-13 US disclosed
US-20170196849-A1 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2017-07-13 US disclosed
US-20100166706-A1 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-07-01 US disclosed
US-20100166706-A1 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-07-01 US disclosed
EP-1713822-B1 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-03-17 EP disclosed
US-7671032-B2 HCV NS-3 serine protease inhibitors MEDIVIR AB (SE) 2010-03-02 US disclosed
US-7671032-B2 HCV NS-3 serine protease inhibitors MEDIVIR AB (SE) 2010-03-02 US disclosed
US-20100003216-A1 HCV NS-3 Serine Protease Inhibitors MEDIVIR AB (SE) 2010-01-07 US disclosed
US-20100003216-A1 HCV NS-3 Serine Protease Inhibitors MEDIVIR AB (SE) 2010-01-07 US disclosed
US-7608590-B2 HCV NS-3 serine protease inhibitors MEDIVIR AB (SE) 2009-10-27 US disclosed
US-7608590-B2 HCV NS-3 serine protease inhibitors MEDIVIR AB (SE) 2009-10-27 US disclosed
US-20070203072-A1 Hcv Ns-3 Serine Protease Inhibitors MEDIVIR AB (SE) 2007-08-30 US disclosed
US-20070203072-A1 Hcv Ns-3 Serine Protease Inhibitors MEDIVIR AB (SE) 2007-08-30 US disclosed
US-20070161574-A1 Hcv ns-3 serine protease inhibitors MEDIVIR AB (SE) 2007-07-12 US disclosed
US-20070161574-A1 Hcv ns-3 serine protease inhibitors MEDIVIR AB (SE) 2007-07-12 US disclosed
WO-2005073195-A2 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2005-08-11 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 (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-20100003216-A1 HCV NS-3 Serine Protease Inhibitors SPINT2, SF3A3, GTF3C3 CTSK 1317/4885CTSL 414/4885CTSS 391/4885
US-20100166706-A1 HCV NS-3 SERINE PROTEASE INHIBITORS HPN, CPN1, PRSS1 CTSK 324/4885CTSL 48/4885CTSS 89/4885
US-20070161574-A1 Hcv ns-3 serine protease inhibitors PRSS1, HPN, SPINT2 CTSK 546/4885CTSL 139/4885CTSS 152/4885
US-20170196849-A1 HCV NS-3 SERINE PROTEASE INHIBITORS HPN, CPN1, PRSS1 CTSK 324/4885CTSL 48/4885CTSS 89/4885
US-20070203072-A1 Hcv Ns-3 Serine Protease Inhibitors HPN, CPN1, PRSS1 CTSK 289/4885CTSL 39/4885CTSS 69/4885
US-10172846-B2 HCV NS-3 serine protease inhibitors HPN, CPN1, PRSS1 CTSK 324/4885CTSL 48/4885CTSS 89/4885

“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.