SCHEMBL13385384

SCHEMBL13385384

C=CC1C[C@]1(NC(=O)[C@@H]1CC(Oc2cc(-c3csc(NC(C)C)n3)nc3cc(OC)ccc23)CN1C(=O)OC(C)(C)C)C(=O)OCC

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.50
PPP3CB P16298 1/20 0.50
CYP3A4 P08684 1/20 0.43
ABCC1 P33527 1/20 0.42
ABCC2 Q92887 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
MCL1 Q07820 5/20 0.33
ADRB3 P13945 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
UCHL1 P09936 1/20 0.31

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
SCHEMBL3056995 1.00 CTSB (0.50) CTSBPPP3CBCYP3A4ABCC1ABCC2
SCHEMBL12035180 1.00 CTSB (0.50) CTSBPPP3CBCYP3A4ABCC1ABCC2
SCHEMBL13858203 0.93 CTSB (0.56) CTSBPPP3CBCYP3A4ABCC1ABCC2
SCHEMBL12055244 0.92 CTSB (0.58) CTSBPPP3CBCYP3A4ABCC1ABCC2
SCHEMBL8245723 0.89 ABCC1 (0.41) CTSBPPP3CBCYP3A4ABCC1ABCC2
SCHEMBL13385446 0.89 CTSB (0.42) CTSBPPP3CBCYP3A4ABCC1ABCC2
SCHEMBL8250301 0.89 CTSB (0.42) CTSBPPP3CBCYP3A4ABCC1ABCC2
SCHEMBL13858245 0.88 CYP3A4 (0.58) CTSBPPP3CBCYP3A4
SCHEMBL8247721 0.88 CTSB (0.42) CTSBPPP3CBCYP3A4ABCC1ABCC2
SCHEMBL12914460 0.88 CTSB (0.51) CTSBPPP3CBCYP3A4ABCC1ABCC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700552-B2 Macrocyclic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2010-04-20 US disclosed
EP-1713822-B1 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-03-17 EP 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-20090023758-A1 Macrocyclic Inhibitors of Hepatitis C Virus MEDIVIR AB (SE) 2009-01-22 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 CTSB 731/4885PPP3CB 329/4885CYP3A4 1304/4885
US-20090023758-A1 Macrocyclic Inhibitors of Hepatitis C Virus CTRC, NOX3, HAVCR2 CTSB 404/4885PPP3CB 1055/4885CYP3A4 1186/4885
US-20070161574-A1 Hcv ns-3 serine protease inhibitors PRSS1, HPN, SPINT2 CTSB 280/4885PPP3CB 245/4885CYP3A4 1656/4885

“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.