SCHEMBL7876149

SCHEMBL7876149

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

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 5/20 0.34
PPARA Q07869 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
FPR2 P25090 1/20 0.33
KMT2A Q03164 1/20 0.32
CYP2D6 P10635 1/20 0.31
KCNH2 Q12809 1/20 0.31
FOLH1 Q04609 1/20 0.30

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
SCHEMBL1128583 0.90 ALDH1A1 (0.33) PPARAFFAR4KMT2ACYP2D6KCNH2
SCHEMBL1128578 0.90 ALDH1A1 (0.33) PPARAFFAR4KMT2ACYP2D6KCNH2
SCHEMBL1128813 0.86 MAPT (0.36) TGM2CYP2D6KCNH2FOLH1
SCHEMBL7868073 0.86 MAPT (0.36) TGM2CYP2D6KCNH2FOLH1
SCHEMBL1128648 0.85 EPHX2 (0.39) TGM2FPR2
SCHEMBL1128646 0.85 EPHX2 (0.39) TGM2FPR2
SCHEMBL1128469 0.84 TGM2 (0.36) TGM2
SCHEMBL1128896 0.84 TGM2 (0.36) TGM2
SCHEMBL12775050 0.81 CYP2D6 (0.35) TGM2CYP2D6KCNH2FOLH1
SCHEMBL12793992 0.80 IDO1 (0.39) TGM2FPR2

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 7 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
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 TGM2 771/4885PPARA 3583/4885FFAR4 3804/4885
US-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 TGM2 771/4885PPARA 3583/4885FFAR4 3804/4885

“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.