SCHEMBL1128639

SCHEMBL1128639

C=CCCCCCC(Nc1ccc(F)c(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.40
GRM4 Q14833 1/20 0.37
TGM2 P21980 3/20 0.37
SLC6A3 Q01959 3/20 0.36
UBE2M P61081 2/20 0.36
DCUN1D1 Q96GG9 2/20 0.36
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
IDH2 P48735 1/20 0.34

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
SCHEMBL7866754 1.00 AR (0.40) ARGRM4TGM2SLC6A3UBE2M
SCHEMBL1128387 0.88 AR (0.38) ARGRM4UBE2MDCUN1D1SLC22A12
SCHEMBL7875840 0.88 AR (0.38) ARGRM4UBE2MDCUN1D1SLC22A12
SCHEMBL7874793 0.87 RAB9A (0.36) TGM2
SCHEMBL1128892 0.87 RAB9A (0.36) TGM2
SCHEMBL12775063 0.84 MAPT (0.37)
SCHEMBL12793992 0.84 IDO1 (0.39) TGM2
SCHEMBL1496406 0.84 IDO1 (0.39) TGM2
SCHEMBL1129062 0.82 TGM2 (0.45) TGM2SLC1A3SLC1A2SLC1A1
SCHEMBL1496419 0.82 TGM2 (0.45) TGM2SLC1A3SLC1A2SLC1A1

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 AR 3990/4885GRM4 4608/4885TGM2 771/4885
US-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 AR 3990/4885GRM4 4608/4885TGM2 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.