SCHEMBL3283641

SCHEMBL3283641

COc1ccc2c(OC3CC4C(=O)NC(C(=O)O)CCC=CCCCCCN(NC(=O)OC(C)(C)C)C(=O)[N+]4C3)cc(-c3ccccc3)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TDP1 Q9NUW8 3/20 0.34
▸ RAB9A P51151 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ ACACB O00763 2/20 0.33
▸ TACR3 P29371 4/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ MITF O75030 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ PAX8 Q06710 1/20 0.32
▸ CTSL P07711 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
SCHEMBL3277219 0.94 CTSB (0.42) CTSBKDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL3276524 0.93 CTSB (0.42) CTSBKDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL1942574 0.83 CTSB (0.39) CTSBKDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL3040552 0.83 CTSB (0.43) CTSBKDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL4615403 0.82 CTSB (0.50) CTSBKDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL3048826 0.78 CTSB (0.41) CTSBKDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL3049802 0.75 CTSB (0.51) CTSBKDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL3045958 0.75 CTSB (0.66) CTSBKDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL3045951 0.75 CTSB (0.66) CTSBKDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL13451694 0.74 CTSB (0.43) CTSBKDM4EALDH1A1SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700552-B2 Macrocyclic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2010-04-20 — — US disclosed
US-20090023758-A1 Macrocyclic Inhibitors of Hepatitis C Virus MEDIVIR AB (SE) 2009-01-22 — — US disclosed
EP-1910347-A2 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS MEDIVIR AB (SE) 2008-04-16 — — EP disclosed
WO-2007017144-A2 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS MEDIVIR AB (SE) 2007-02-15 — — 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-20090023758-A1 Macrocyclic Inhibitors of Hepatitis C Virus CTRC, NOX3, HAVCR2 CTSB 404/4885KDM4E 4409/4885ALDH1A1 2532/4885

“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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