SCHEMBL1496433

SCHEMBL1496433

C=CCCCCC[C@H](Nc1cccc(F)c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.47
MMP2 P08253 3/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MMP1 P03956 2/20 0.40
MMP9 P14780 2/20 0.40
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
C3AR1 Q16581 2/20 0.37
TGM2 P21980 2/20 0.37
HTT P42858 1/20 0.36
MTOR P42345 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL1128875 1.00 FOLH1 (0.47) FOLH1MMP2CA12CA9CA14
SCHEMBL1128813 0.87 MAPT (0.36) FOLH1HPGDTGM2
SCHEMBL7868073 0.87 MAPT (0.36) FOLH1HPGDTGM2
SCHEMBL1537630 0.87 ALDH1A1 (0.39) FOLH1MMP2CA12CA9CA14
SCHEMBL1128485 0.87 ALDH1A1 (0.39) FOLH1MMP2CA12CA9CA14
SCHEMBL1128808 0.86 FOLH1 (0.40) FOLH1MMP2KMT2AMMP9TGM2
SCHEMBL7875843 0.86 FOLH1 (0.40) FOLH1MMP2KMT2AMMP9TGM2
SCHEMBL12775060 0.85 MAOB (0.40) MMP2MEN1KMT2AMMP1MMP9
SCHEMBL1537640 0.85 SMN1; SMN2 (0.47) MMP2CA12MEN1KMT2ARAB9A
SCHEMBL1128799 0.85 SMN1; SMN2 (0.47) MMP2CA12MEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483290-A1 CYCLIC PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2012-08-08 EP disclosed
US-8048862-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2011-11-01 US disclosed
US-8048862-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2011-11-01 US disclosed
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 US disclosed
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 US disclosed
WO-2011038293-A1 CYCLIC PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-31 WO disclosed
WO-2011038293-A1 CYCLIC PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-31 WO disclosed
US-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-10 US disclosed
US-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-10 US 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
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 (3 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 4141/4885MMP2 193/4885CA12 4490/4885
US-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 FOLH1 4141/4885MMP2 193/4885CA12 4490/4885
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, EIF4A2 FOLH1 3625/4885MMP2 101/4885CA12 3735/4885

“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.