SCHEMBL12018606

SCHEMBL12018606

COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCN(C)C(=O)[C@@H]4C3)cc(-c3csc(NC(C)C)n3)nc2c1

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.79
▸ CTSS P25774 1/20 0.68
▸ ADRB3 P13945 1/20 0.43
▸ ADRA2B P18089 1/20 0.43
▸ ADRA2C P18825 1/20 0.43

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
SCHEMBL2381241 0.91 CTSB (0.65) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL2381231 0.91 CTSB (0.65) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL2381237 0.91 CTSB (0.65) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL12253433 0.91 CTSB (0.65) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL3257845 0.91 CTSB (0.74) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL12018608 0.91 CTSB (0.74) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL3258231 0.91 CTSB (0.74) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL3046050 0.91 CTSB (0.65) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL3046058 0.91 CTSB (0.65) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL12018629 0.91 CTSB (0.65) CTSBCTSSADRB3ADRA2BADRA2C

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 9 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-20120220520-A1 BIOAVAILABLE COMBINATIONS FOR HCV TREATMENT JANSSEN SCIENCES IRELAND UC (IE) 2012-08-30 — — 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-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

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 CTSB 168/4885CTSS 89/4885ADRB3 4099/4885
US-20170196849-A1 HCV NS-3 SERINE PROTEASE INHIBITORS HPN, CPN1, PRSS1 CTSB 168/4885CTSS 89/4885ADRB3 4099/4885
US-20120220520-A1 BIOAVAILABLE COMBINATIONS FOR HCV TREATMENT HAVCR2, CYP7A1, CYP3A4 CTSB 111/4885CTSS 206/4885ADRB3 3728/4885
US-20070203072-A1 Hcv Ns-3 Serine Protease Inhibitors HPN, CPN1, PRSS1 CTSB 126/4885CTSS 69/4885ADRB3 4075/4885
US-10172846-B2 HCV NS-3 serine protease inhibitors HPN, CPN1, PRSS1 CTSB 168/4885CTSS 89/4885ADRB3 4099/4885

“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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