SCHEMBL13610686

SCHEMBL13610686

CC(C)(C)NC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](NC(=O)c3cc4ccccc4[nH]3)CN2C1=O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.40
▸ CTSS P25774 1/20 0.35
▸ ADRB3 P13945 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ CYP3A4 P08684 2/20 0.33
▸ PYGL P06737 2/20 0.32
▸ PYGM P11217 2/20 0.32
▸ CCKBR P32239 2/20 0.32
▸ SLC2A1 P11166 1/20 0.31

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
SCHEMBL13869540 0.91 CTSB (0.41) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL13623562 0.91 ADRB3 (0.35) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL13610735 0.88 CTSB (0.38) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL13610687 0.84 CTSB (0.37) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL13610691 0.84 CYP3A4 (0.38) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL13610688 0.84 CTSB (0.44) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL13610728 0.84 CTSB (0.38) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL13892492 0.83 CTSB (0.38) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL13610694 0.83 CTSB (0.41) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL13886248 0.83 CTSB (0.39) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286843-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-11-19 — — 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 (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-20090286843-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 CTSB 1317/4885CTSS 1471/4885ADRB3 4337/4885

“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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