SCHEMBL3277219

SCHEMBL3277219

CCOC(=O)C1CCC=CCCCCCN(NC(=O)OC(C)(C)C)C(=O)[N+]2CC(Oc3cc(-c4ccccc4)nc4cc(OC)ccc34)CC2C(=O)N1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NPSR1 Q6W5P4 3/20 0.33
▸ TDP1 Q9NUW8 3/20 0.33
▸ TACR3 P29371 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ACACB O00763 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
SCHEMBL3276524 0.99 CTSB (0.42) CTSBKDM4ESMN1; SMN2MAPK1ALDH1A1
SCHEMBL3283641 0.94 CTSB (0.44) CTSBKDM4ESMN1; SMN2ALDH1A1NPC1
SCHEMBL4615403 0.89 CTSB (0.50) CTSBKDM4ESMN1; SMN2MAPK1ALDH1A1
SCHEMBL3048826 0.85 CTSB (0.41) CTSBKDM4ESMN1; SMN2MAPK1ALDH1A1
SCHEMBL3039920 0.79 CTSB (0.61) CTSBKDM4ESMN1; SMN2MAPK1ALDH1A1
SCHEMBL1942574 0.78 CTSB (0.39) CTSBKDM4ESMN1; SMN2ALDH1A1NPC1
SCHEMBL3040552 0.77 CTSB (0.43) CTSBKDM4ESMN1; SMN2MAPK1ALDH1A1
SCHEMBL3049466 0.77 CTSB (0.49) CTSBKDM4ESMN1; SMN2MAPK1ALDH1A1
SCHEMBL3314022 0.76 ALDH1A1 (0.32) CTSBKDM4ESMN1; SMN2MAPK1ALDH1A1
SCHEMBL3050935 0.76 CTSB (0.63) CTSBKDM4ESMN1; SMN2ALDH1A1NPC1

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 4409/4885SMN1; SMN2 2348/4885

“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.

Send feedback