SCHEMBL1128808

SCHEMBL1128808

C=CCCCCCC(Nc1ccccc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.40
HDAC2 Q92769 3/20 0.39
ABCC4 O15439 1/20 0.39
MAPT P10636 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
CYP2C19 P33261 1/20 0.37
GAA P10253 1/20 0.37
TGM2 P21980 2/20 0.37
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
SOAT2 O75908 1/20 0.36

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
SCHEMBL7875843 1.00 FOLH1 (0.40) FOLH1HDAC2ABCC4MAPTHDAC3
SCHEMBL2217240 0.87 FOLH1 (0.43) FOLH1ABCC4MAPTTGM2MMP2
SCHEMBL12775064 0.87 TGM2 (0.42) FOLH1HDAC2ABCC4MAPTHDAC3
SCHEMBL1129168 0.87 FOLH1 (0.43) FOLH1ABCC4MAPTTGM2MMP2
SCHEMBL7866701 0.86 ALDH1A1 (0.41) HDAC2MAPTKMT2A
SCHEMBL1128740 0.86 ALDH1A1 (0.41) HDAC2MAPTKMT2A
SCHEMBL12775060 0.86 MAOB (0.40) HDAC2MAPTHDAC3HDAC4HDAC1
SCHEMBL1128875 0.86 FOLH1 (0.47) FOLH1TGM2MMP2MMP9KMT2A
SCHEMBL1496433 0.86 FOLH1 (0.47) FOLH1TGM2MMP2MMP9KMT2A
SCHEMBL1496419 0.84 TGM2 (0.45) MAPTHDAC1CYP2C19TGM2MMP2

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-8048862-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2011-11-01 US disclosed
US-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-10 US disclosed
EP-2282762-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2011-02-16 EP disclosed
WO-2009142842-A9 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2010-11-25 WO disclosed
WO-2009142842-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-26 WO disclosed
US-20090269305-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-10-29 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 (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-20090269305-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 FOLH1 4141/4885HDAC2 1832/4885ABCC4 2900/4885
US-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 FOLH1 4141/4885HDAC2 1832/4885ABCC4 2900/4885

“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.