SCHEMBL20412554

SCHEMBL20412554

COCC(OC(C)=O)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 2/20 0.36
FAAH O00519 1/20 0.34
MGLL Q99685 1/20 0.34
CETP P11597 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
GALR3 O60755 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL28780092 0.82 LMNA (0.34) TSHRFAAHMGLLCHRM2CHRM4
SCHEMBL9929547 0.81 TSHR (0.37) TDP1TSHRCHRM2CHRM4CHRM1
SCHEMBL11550466 0.77 TSHR (0.37) TDP1TSHRCETPCHRM2CHRM4
SCHEMBL497899 0.77 TSHR (0.37) TDP1TSHRCETPCHRM2CHRM4
SCHEMBL18116510 0.75 TSHR (0.36) TDP1TSHRFAAHCETPCHRM2
SCHEMBL7527175 0.75 TSHR (0.41) TDP1TSHRCETPCHRM2CHRM4
SCHEMBL7526153 0.73 TSHR (0.39) TDP1TSHRCETPCHRM2CHRM4
SCHEMBL7523865 0.73 TSHR (0.39) TDP1TSHRCETPCHRM2CHRM4
SCHEMBL19395982 0.73 TSHR (0.34) TDP1TSHRCETPCHRM2CHRM4
SCHEMBL25616363 0.72

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-20180208607-A1 1,1,1-TRIFLUORO-3-HYDROXYPROPAN-2-YL CARBAMATE DERIVATIVES AS MAGL INHIBITORS PFIZER INC. (US) 2018-07-26 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-20180208607-A1 1,1,1-TRIFLUORO-3-HYDROXYPROPAN-2-YL CARBAMATE DERIVATIVES AS MAGL INHIBITORS MAG, PYM1, HIF1AN TDP1 519/4885TSHR 3787/4885FAAH 14/4885

“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.