SCHEMBL4414935

SCHEMBL4414935

COC(=O)/C=C/C(F)(F)Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.52
NFE2L2 Q16236 2/20 0.52
KEAP1 Q14145 1/20 0.52
APP P05067 2/20 0.39
TTR P02766 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TYR P14679 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
ALDH1A1 P00352 8/20 0.38
MAPT P10636 6/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALOX15 P16050 2/20 0.38

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
SCHEMBL4414937 1.00 HCAR2 (0.52) HCAR2NFE2L2KEAP1APPTTR
SCHEMBL321329 0.81 NFE2L2 (0.57) HCAR2NFE2L2KEAP1APPTTR
SCHEMBL321328 0.81 NFE2L2 (0.57) HCAR2NFE2L2KEAP1APPTTR
SCHEMBL4460429 0.77 HCAR2 (0.46) HCAR2NFE2L2KEAP1CA12CA1
SCHEMBL4460434 0.77 HCAR2 (0.46) HCAR2NFE2L2KEAP1CA12CA1
SCHEMBL28254645 0.74 HCAR2 (0.48) HCAR2NFE2L2KEAP1APPTTR
SCHEMBL1881404 0.73 NFE2L2 (0.60) HCAR2NFE2L2KEAP1APPTTR
SCHEMBL3022767 0.73 NFE2L2 (0.60) HCAR2NFE2L2KEAP1APPTTR
SCHEMBL4451196 0.72 HCAR2 (0.46) HCAR2NFE2L2KEAP1APPTTR
SCHEMBL4451193 0.72 HCAR2 (0.46) HCAR2NFE2L2KEAP1APPTTR

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-20090324544-A1 SUBSTITUTED CYCLIC PYRROLIDINE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-12-31 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-20090324544-A1 SUBSTITUTED CYCLIC PYRROLIDINE DERIVATIVES EIF2AK2, NSUN2, RNMT HCAR2 2726/4885NFE2L2 854/4885KEAP1 439/4885

“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.