SCHEMBL1654656

SCHEMBL1654656

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

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 12/20 0.47
SLC7A5 Q01650 1/20 0.39
ABL1 P00519 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.34
TGM2 P21980 1/20 0.33
PDE2A O00408 2/20 0.33
FPR2 P25090 1/20 0.33

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
SCHEMBL12793996 1.00 EPHX2 (0.47) EPHX2SLC7A5ABL1TRPM8TGM2
SCHEMBL1496406 0.92 IDO1 (0.39) EPHX2SLC7A5TGM2FPR2
SCHEMBL12793992 0.92 IDO1 (0.39) EPHX2SLC7A5TGM2FPR2
SCHEMBL1496430 0.90 EPHX2 (0.46) EPHX2SLC7A5ABL1PDE2A
SCHEMBL12793125 0.90 EPHX2 (0.46) EPHX2SLC7A5ABL1PDE2A
SCHEMBL1128892 0.84 RAB9A (0.36) TGM2
SCHEMBL7874793 0.84 RAB9A (0.36) TGM2
SCHEMBL1128648 0.82 EPHX2 (0.39) EPHX2TGM2FPR2
SCHEMBL1128646 0.82 EPHX2 (0.39) EPHX2TGM2FPR2
SCHEMBL1128639 0.82 AR (0.40) TGM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 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 (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 1977/4885SLC7A5 4795/4885ABL1 642/4885

“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.