SCHEMBL1716949

SCHEMBL1716949

COC(=O)C=CCC(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.50
NFE2L2 Q16236 2/20 0.50
KEAP1 Q14145 1/20 0.50
TTR P02766 1/20 0.34
APP P05067 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
TNF P01375 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TYR P14679 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
GFPT1 Q06210 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
SCHEMBL1716947 1.00 HCAR2 (0.50) HCAR2NFE2L2KEAP1TTRAPP
SCHEMBL4451193 0.83 HCAR2 (0.46) HCAR2NFE2L2KEAP1TTRAPP
SCHEMBL4451196 0.83 HCAR2 (0.46) HCAR2NFE2L2KEAP1TTRAPP
SCHEMBL10025727 0.82 HCAR2 (0.44) HCAR2NFE2L2KEAP1TTRAPP
SCHEMBL14488332 0.80 NFE2L2 (0.52) HCAR2NFE2L2KEAP1TTRAPP
SCHEMBL9740851 0.80 NFE2L2 (0.52) HCAR2NFE2L2KEAP1TTRAPP
SCHEMBL9740844 0.80 NFE2L2 (0.52) HCAR2NFE2L2KEAP1TTRAPP
SCHEMBL8152585 0.79 MAPT (0.50) HCAR2TTRALDH1A1MAPTLMNA
SCHEMBL5643847 0.79 MAPT (0.50) HCAR2TTRALDH1A1MAPTLMNA
SCHEMBL14349835 0.79 HCAR2 (0.46) HCAR2NFE2L2KEAP1TTRAPP

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-2152712-B1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER (US) 2012-01-11 EP disclosed
US-7964607-B2 Pyrazolo[3,4-d]pyrimidine compounds PFIZER INC. (US) 2011-06-21 US disclosed
US-20090030003-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC 2009-01-29 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 (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-20090030003-A1 AMINO-HETEROCYCLIC COMPOUNDS PDE9A, PDE2A, PDE10A HCAR2 1920/4885NFE2L2 3948/4885KEAP1 3066/4885

“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.