SCHEMBL8222778

SCHEMBL8222778

CCOC(=O)[C@@]12C[C@H]1/C=C\CCCCNC(=O)N1C[C@H](Oc3cc(-c4ccccc4)nc4cc(OC)ccc34)C[C@H]1C(=O)N2

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.54
▸ ADRB3 P13945 1/20 0.43
▸ ADRA2B P18089 1/20 0.43
▸ ADRA2C P18825 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CTSS P25774 1/20 0.35
▸ TACR3 P29371 4/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ ADAM17 P78536 1/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32

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
SCHEMBL3048828 1.00 CTSB (0.54) CTSBADRB3ADRA2BADRA2CKDM4E
SCHEMBL3048824 1.00 CTSB (0.54) CTSBADRB3ADRA2BADRA2CKDM4E
SCHEMBL3040555 0.93 CTSB (0.57) CTSBADRB3ADRA2BADRA2CKDM4E
SCHEMBL12017074 0.93 CTSB (0.57) CTSBADRB3ADRA2BADRA2CKDM4E
SCHEMBL3040551 0.93 CTSB (0.57) CTSBADRB3ADRA2BADRA2CKDM4E
SCHEMBL13335463 0.91 CTSB (0.53) CTSBADRB3ADRA2BADRA2CKDM4E
SCHEMBL3054522 0.90 CTSB (0.53) CTSBADRB3ADRA2BADRA2CKDM4E
SCHEMBL3054526 0.90 CTSB (0.53) CTSBADRB3ADRA2BADRA2CKDM4E
SCHEMBL13519890 0.89 CTSB (0.53) CTSBADRB3ADRA2BADRA2CKDM4E
SCHEMBL3040507 0.89 CTSB (0.53) CTSBADRB3ADRA2BADRA2CKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120220520-A1 BIOAVAILABLE COMBINATIONS FOR HCV TREATMENT JANSSEN SCIENCES IRELAND UC (IE) 2012-08-30 — — US disclosed
US-20120220520-A1 BIOAVAILABLE COMBINATIONS FOR HCV TREATMENT JANSSEN SCIENCES IRELAND UC (IE) 2012-08-30 — — 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-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
WO-2008046860-A2 BIOAVAILABLE COMBINATIONS FOR HCV TREATMENT TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-04-24 — — WO 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 731/4885ADRB3 2740/4885ADRA2B 4712/4885
US-20070161574-A1 Hcv ns-3 serine protease inhibitors PRSS1, HPN, SPINT2 CTSB 280/4885ADRB3 3967/4885ADRA2B 4751/4885
US-20120220520-A1 BIOAVAILABLE COMBINATIONS FOR HCV TREATMENT HAVCR2, CYP7A1, CYP3A4 CTSB 111/4885ADRB3 3728/4885ADRA2B 3343/4885

“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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