SCHEMBL8221523

SCHEMBL8221523

O=C1N[C@]2(C(=O)NS(=O)(=O)C3CC3)C[C@H]2/C=C\CCCCCCC(=O)N2C[C@H](OC(=O)N3Cc4ccccc4C3)C[C@@H]12

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.41
▸ CTSS P25774 1/20 0.36
▸ CYP3A4 P08684 2/20 0.32
▸ ADRB3 P13945 1/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ ADRA2C P18825 1/20 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
SCHEMBL2214687 1.00 CTSB (0.41) CTSBCTSSCYP3A4ADRB3ADRA2B
SCHEMBL2214691 1.00 CTSB (0.41) CTSBCTSSCYP3A4ADRB3ADRA2B
SCHEMBL2214696 1.00 CTSB (0.41) CTSBCTSSCYP3A4ADRB3ADRA2B
SCHEMBL8171007 0.93 CTSB (0.38) CTSBCTSSCYP3A4ADRB3ADRA2B
SCHEMBL8278237 0.92 CTSB (0.40) CTSBCTSSCYP3A4ADRB3ADRA2B
SCHEMBL8239469 0.92 CTSB (0.41) CTSBCTSSCYP3A4ADRB3ADRA2B
SCHEMBL995545 0.92 CTSB (0.41) CTSBCTSSCYP3A4ADRB3ADRA2B
SCHEMBL995543 0.92 CTSB (0.41) CTSBCTSSCYP3A4ADRB3ADRA2B
SCHEMBL8382394 0.91 CTSB (0.41) CTSBCTSSCYP3A4ADRB3ADRA2B
SCHEMBL4212027 0.89 ADRB3 (0.43) CTSBCTSSCYP3A4ADRB3ADRA2B

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-20120220520-A1 BIOAVAILABLE COMBINATIONS FOR HCV TREATMENT JANSSEN SCIENCES IRELAND UC (IE) 2012-08-30 — — US disclosed
US-7989471-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2011-08-02 — — US disclosed
US-7989471-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2011-08-02 — — US disclosed
US-20100240698-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2010-09-23 — — US disclosed
US-20100240698-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2010-09-23 — — US disclosed
WO-2008046860-A2 BIOAVAILABLE COMBINATIONS FOR HCV TREATMENT TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-04-24 — — 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-20120220520-A1 BIOAVAILABLE COMBINATIONS FOR HCV TREATMENT HAVCR2, CYP7A1, CYP3A4 CTSB 111/4885CTSS 206/4885CYP3A4 3/4885
US-20100240698-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS CYP2B6, SRD5A1, NR5A2 CTSB 4505/4885CTSS 3796/4885CYP3A4 48/4885

“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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