SCHEMBL8245129

SCHEMBL8245129

CCOC(=O)[C@@]12C[C@H]1/C=C\CCCCN(C)C(=O)N1C[C@H](O)C[C@H]1C(=O)N2

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.31
▸ CTSS P25774 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
SCHEMBL6760157 1.00 CTSB (0.31) CTSBCTSS
SCHEMBL2837629 1.00 CTSB (0.31) CTSBCTSS
SCHEMBL2837626 1.00 CTSB (0.31) CTSBCTSS
SCHEMBL14020644 0.97 — —
SCHEMBL16628833 0.87 ADRB3 (0.33) CTSB
SCHEMBL16628832 0.87 ADRB3 (0.33) CTSB
SCHEMBL12794554 0.87 MEN1 (0.35) CTSB
SCHEMBL10283465 0.87 CTSB (0.32) CTSBCTSS
SCHEMBL15216165 0.87 CTSB (0.32) CTSBCTSS
SCHEMBL10283470 0.87 CTSB (0.32) CTSBCTSS

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
EP-1919904-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN R & D IRELAND (IE) 2014-01-08 — — EP disclosed
US-8012939-B2 Macrocyclic inhibitors of hepatitis C virus Tibotec Pharmaceuticals Ltd. Co (IE) 2011-09-06 — — US disclosed
US-8012939-B2 Macrocyclic inhibitors of hepatitis C virus Tibotec Pharmaceuticals Ltd. Co (IE) 2011-09-06 — — US disclosed
US-20090281141-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2009-11-12 — — US disclosed
US-20090281141-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2009-11-12 — — US disclosed
WO-2007014921-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 — — 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 (1 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-20090281141-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS CBR1, HCCS, CYP2B6 CTSB 3926/4885CTSS 3118/4885

“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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