SCHEMBL3048876

SCHEMBL3048876

COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.51
CTSL P07711 5/20 0.50
CASP3 P42574 2/20 0.50
CTSK P43235 6/20 0.49
CTSB P07858 4/20 0.49
CTSS P25774 3/20 0.49
CCR1 P32246 1/20 0.48
EPHX1 P07099 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
CTSD P07339 1/20 0.48
CA2 P00918 1/20 0.48
CA5A P35218 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
CASP6 P55212 1/20 0.48
CASP8 Q14790 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
SCHEMBL19126034 1.00 ELANE (0.51) ELANECTSLCASP3CTSKCTSB
SCHEMBL3048881 1.00 ELANE (0.51) ELANECTSLCASP3CTSKCTSB
SCHEMBL3048884 1.00 ELANE (0.51) ELANECTSLCASP3CTSKCTSB
SCHEMBL20825664 0.89 EPHX1 (0.56) CTSLCTSKCTSBCTSSEPHX1
SCHEMBL8887934 0.84 ALDH1A1 (0.59) ELANECTSLCTSKCTSBCTSS
SCHEMBL25767336 0.83 CTSL (0.63) ELANECTSLCASP3CTSKCTSB
SCHEMBL28758715 0.83 CTSL (0.51) ELANECTSLCASP3CTSKCTSB
SCHEMBL29028055 0.82 TRPM8 (0.53) CTSLCTSKCTSBCTSSEPHX1
SCHEMBL30419679 0.82 TRPM8 (0.53) CTSLCTSKCTSBCTSSEPHX1
SCHEMBL29028057 0.82 TRPM8 (0.53) CTSLCTSKCTSBCTSSEPHX1

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 32 patents — showing the first 20. 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-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
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
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-7671032-B2 HCV NS-3 serine protease inhibitors MEDIVIR AB (SE) 2010-03-02 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
US-20070161574-A1 Hcv ns-3 serine protease inhibitors MEDIVIR AB (SE) 2007-07-12 US disclosed
EP-1713822-A2 HCV NS-3 SERINE PROTEASE INHIBITORS Medivir Aktiebolag (SE) 2006-10-25 EP disclosed
EP-1713823-A2 HCV NS-3 SERINE PROTEASE INHIBITORS Medivir Aktiebolag (SE) 2006-10-25 EP disclosed
WO-2005073216-A2 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2005-08-11 WO disclosed
WO-2005073195-A2 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2005-08-11 WO 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 (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-20100166706-A1 HCV NS-3 SERINE PROTEASE INHIBITORS HPN, CPN1, PRSS1 ELANE 327/4885CTSL 48/4885CASP3 356/4885
US-20070161574-A1 Hcv ns-3 serine protease inhibitors PRSS1, HPN, SPINT2 ELANE 575/4885CTSL 139/4885CASP3 490/4885
US-20170196849-A1 HCV NS-3 SERINE PROTEASE INHIBITORS HPN, CPN1, PRSS1 ELANE 327/4885CTSL 48/4885CASP3 356/4885
US-20070203072-A1 Hcv Ns-3 Serine Protease Inhibitors HPN, CPN1, PRSS1 ELANE 377/4885CTSL 39/4885CASP3 256/4885
US-10172846-B2 HCV NS-3 serine protease inhibitors HPN, CPN1, PRSS1 ELANE 327/4885CTSL 48/4885CASP3 356/4885

“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.