SCHEMBL3050332

SCHEMBL3050332

C=CCCCCN(N)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
CA14 Q9ULX7 1/20 0.36
HDAC6 Q9UBN7 2/20 0.35
MAPT P10636 3/20 0.34
ABCC4 O15439 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
USP2 O75604 2/20 0.31
CYP3A4 P08684 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
RECQL P46063 1/20 0.31
LPAR3 Q9UBY5 2/20 0.31
LPAR2 Q9HBW0 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 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
SCHEMBL4683655 0.88 HDAC6 (0.37) ALDH1A1LMNAL3MBTL1CA14HDAC6
SCHEMBL27800499 0.85 CA14 (0.37) L3MBTL1CA14HDAC6MAPTHDAC1
SCHEMBL30304722 0.82 ALDH1A1 (0.42) ALDH1A1LMNAL3MBTL1CA14HDAC6
SCHEMBL4149715 0.82 ALDH1A1 (0.42) ALDH1A1LMNAL3MBTL1CA14HDAC6
SCHEMBL30304345 0.82 ALDH1A1 (0.42) ALDH1A1LMNAL3MBTL1CA14HDAC6
SCHEMBL27826887 0.81 HDAC6 (0.39) L3MBTL1CA14HDAC6HDAC1HDAC2
SCHEMBL1884648 0.80 CA14 (0.40) L3MBTL1CA14HDAC6HDAC1HDAC2
SCHEMBL31276814 0.79 CA14 (0.44) ALDH1A1LMNAL3MBTL1CA14HDAC6
SCHEMBL3277233 0.79 ALDH1A1 (0.37) ALDH1A1LMNAL3MBTL1CA14HDAC6
SCHEMBL28862673 0.79 ALDH1A1 (0.39) ALDH1A1LMNAMAPTABCC4USP2

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 10 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-7700552-B2 Macrocyclic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2010-04-20 US disclosed
US-7700552-B2 Macrocyclic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2010-04-20 US disclosed
US-20100003216-A1 HCV NS-3 Serine Protease Inhibitors MEDIVIR AB (SE) 2010-01-07 US disclosed
US-20090023758-A1 Macrocyclic Inhibitors of Hepatitis C Virus MEDIVIR AB (SE) 2009-01-22 US disclosed
US-20090023758-A1 Macrocyclic Inhibitors of Hepatitis C Virus MEDIVIR AB (SE) 2009-01-22 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
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 (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-20100003216-A1 HCV NS-3 Serine Protease Inhibitors SPINT2, SF3A3, GTF3C3 ALDH1A1 4288/4885LMNA 3236/4885L3MBTL1 3099/4885
US-20090023758-A1 Macrocyclic Inhibitors of Hepatitis C Virus CTRC, NOX3, HAVCR2 ALDH1A1 2532/4885LMNA 2509/4885L3MBTL1 876/4885

“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.