SCHEMBL7868073

SCHEMBL7868073

C=CCCCCC[C@H](Nc1cc(F)cc(F)c1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
ABCC4 O15439 1/20 0.36
TGM2 P21980 2/20 0.35
FOLH1 Q04609 4/20 0.35
CYP2D6 P10635 2/20 0.33
KCNH2 Q12809 2/20 0.33
SLC6A5 Q9Y345 1/20 0.33
EGFR P00533 1/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
USP2 O75604 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 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
SCHEMBL1128813 1.00 MAPT (0.36) MAPTABCC4TGM2FOLH1CYP2D6
SCHEMBL12775050 0.91 CYP2D6 (0.35) MAPTABCC4TGM2FOLH1CYP2D6
SCHEMBL1128469 0.89 TGM2 (0.36) TGM2ALDH1A1LMNASMN1; SMN2
SCHEMBL1128896 0.89 TGM2 (0.36) TGM2ALDH1A1LMNASMN1; SMN2
SCHEMBL1128875 0.87 FOLH1 (0.47) TGM2FOLH1HPGD
SCHEMBL1496433 0.87 FOLH1 (0.47) TGM2FOLH1HPGD
SCHEMBL1129168 0.86 FOLH1 (0.43) MAPTABCC4TGM2FOLH1CYP2D6
SCHEMBL2217240 0.86 FOLH1 (0.43) MAPTABCC4TGM2FOLH1CYP2D6
SCHEMBL7876149 0.86 TGM2 (0.34) TGM2FOLH1CYP2D6KCNH2
SCHEMBL7872236 0.86 ALDH1A1 (0.39) MAPTCYP2D6KCNH2ALDH1A1LMNA

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 8 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-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
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 (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 MAPT 4553/4885ABCC4 2900/4885TGM2 771/4885
US-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 MAPT 4553/4885ABCC4 2900/4885TGM2 771/4885

“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.