SCHEMBL3045942

SCHEMBL3045942

CCOC(=O)C12CC1C=CCCCCN(C)C(=O)C1CC(OS(=O)(=O)c3ccc(Br)cc3)CC1C(=O)N2

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.42
▸ CTSS P25774 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 1/20 0.34
▸ NEK2 P51955 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
SCHEMBL3045938 1.00 CTSB (0.42) CTSBCTSSALDH1A1POLBNEK2
SCHEMBL13248869 1.00 CTSB (0.42) CTSBCTSSALDH1A1POLBNEK2
SCHEMBL6844968 0.88 CTSB (0.45) CTSBCTSSALDH1A1
SCHEMBL1926348 0.88 CTSB (0.45) CTSBCTSSALDH1A1
SCHEMBL8166808 0.83 CTSB (0.41) CTSBCTSS
SCHEMBL996664 0.82 CTSB (0.41) CTSBCTSS
SCHEMBL996662 0.82 CTSB (0.41) CTSBCTSS
SCHEMBL13502613 0.82 CTSB (0.41) CTSBCTSS
SCHEMBL13502724 0.79 CTSB (0.39) CTSBCTSSPOLB
SCHEMBL12730493 0.79 ADRB3 (0.35) ALDH1A1POLB

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 6 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-7671032-B2 HCV NS-3 serine protease inhibitors MEDIVIR AB (SE) 2010-03-02 — — US disclosed
EP-1713823-B1 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2009-11-11 — — EP disclosed
US-20070203072-A1 Hcv Ns-3 Serine Protease Inhibitors MEDIVIR AB (SE) 2007-08-30 — — US disclosed
EP-1713823-A2 HCV NS-3 SERINE PROTEASE INHIBITORS Medivir Aktiebolag (SE) 2006-10-25 — — EP 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 (2 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-20070203072-A1 Hcv Ns-3 Serine Protease Inhibitors HPN, CPN1, PRSS1 CTSB 126/4885CTSS 69/4885ALDH1A1 4156/4885
US-10172846-B2 HCV NS-3 serine protease inhibitors HPN, CPN1, PRSS1 CTSB 168/4885CTSS 89/4885ALDH1A1 4292/4885

“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.

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