SCHEMBL1496430

SCHEMBL1496430

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

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.46
ABL1 P00519 1/20 0.37
SLC7A5 Q01650 1/20 0.35
APP P05067 1/20 0.34
KCNN4 O15554 1/20 0.34
PDE2A O00408 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
SCHEMBL12793125 1.00 EPHX2 (0.46) EPHX2ABL1SLC7A5APPKCNN4
SCHEMBL1496387 0.92 KCNN4 (0.36) EPHX2APPKCNN4
SCHEMBL12793131 0.92 KCNN4 (0.36) EPHX2APPKCNN4
SCHEMBL12793996 0.90 EPHX2 (0.47) EPHX2ABL1SLC7A5PDE2A
SCHEMBL1654656 0.90 EPHX2 (0.47) EPHX2ABL1SLC7A5PDE2A
SCHEMBL7872227 0.86 MAPT (0.40)
SCHEMBL1129211 0.86 MAPT (0.40)
SCHEMBL7875840 0.84 AR (0.38) KCNN4
SCHEMBL1128387 0.84 AR (0.38) KCNN4
SCHEMBL1128571 0.83 NPC1 (0.40) EPHX2

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 3 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, EIF4A2 EPHX2 1977/4885ABL1 642/4885SLC7A5 4795/4885

“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.