SCHEMBL18422020

SCHEMBL18422020

CC1N(S(=O)(=O)c2ccc(F)cc2)CCOC12CCN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.46
▸ RORC P51449 4/20 0.45
▸ MMP13 P45452 2/20 0.44
▸ PKM P14618 1/20 0.42
▸ MMP1 P03956 2/20 0.42
▸ MMP9 P14780 2/20 0.42
▸ MMP3 P08254 1/20 0.42
▸ MMP7 P09237 1/20 0.42
▸ F13A1 P00488 1/20 0.41
▸ TGM2 P21980 1/20 0.41
▸ GPR119 Q8TDV5 6/20 0.41
▸ NAMPT P43490 1/20 0.41

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
SCHEMBL18446165 0.86 MGLL (0.43) MGLLPKM
SCHEMBL22394250 0.82 MGLL (0.52) MGLLRORCPKM
SCHEMBL18418277 0.82 MGLL (0.52) MGLLRORCPKM
SCHEMBL12627185 0.81 HCRTR1 (0.50) MGLLRORCMMP13PKM
SCHEMBL18418201 0.79 MGLL (0.72) MGLLRORCPKMF13A1TGM2
SCHEMBL18422309 0.79 TRPA1 (0.40) MGLLPKM
SCHEMBL1181084 0.74 PKM (0.73) PKMF13A1TGM2
SCHEMBL18418214 0.72 MGLL (0.50) MGLLRORCMMP13PKMF13A1
SCHEMBL31726526 0.72 MEN1 (0.46) RORCMMP13GPR119
SCHEMBL14892373 0.71 RORC (0.50) RORCMMP13PKMF13A1TGM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3328849-B9 1,1,1-TRIFLUORO-3-HYDROXYPROPAN-2-YL CARBAMATE DERIVATIVES AND 1,1,1-TRIFLUORO-4-HYDROXYBUTAN-2-YL CARBAMATE DERIVATIVES AS MAGL INHIBITORS PFIZER (US) 2021-01-06 — — EP disclosed
EP-3328849-B1 1,1,1-TRIFLUORO-3-HYDROXYPROPAN-2-YL CARBAMATE DERIVATIVES AND 1,1,1-TRIFLUORO-4-HYDROXYBUTAN-2-YL CARBAMATE DERIVATIVES AS MAGL INHIBITORS PFIZER (US) 2020-09-09 — — EP disclosed
US-10723711-B2 1,1,1-trifluoro-3-hydroxypropan-2-yl carbamate derivatives and 1,1,1-trifluoro-4-hydroxybutan-2-yl carbamate derivatives as MAGL inhibitors PFIZER INC. (US) 2020-07-28 — — US disclosed
US-10428034-B2 1,1,1-trifluoro-3-hydroxypropan-2-yl carbamate derivatives and 1,1,1-trifluoro-4-hydroxybutan-2-yl carbamate derivatives as MAGL inhibitors PFIZER INC. (US) 2019-10-01 — — US disclosed
US-20180065943-A1 1,1,1-TRIFLUORO-3-HYDROXYPROPAN-2-YL CARBAMATE DERIVATIVES AND 1,1,1-TRIFLUORO-4-HYDROXYBUTAN-2-YL CARBAMATE DERIVATIVES AS MAGL INHIBITORS PFIZER INC. (US) 2018-03-08 — — US disclosed
US-9845301-B2 1,1,1-trifluoro-3-hydroxypropan-2-yl carbamate derivatives and 1,1,1-trifluoro-4-hydroxybutan-2-yl carbamate derivatives as MAGL inhibitors PFIZER INC. (US) 2017-12-19 — — US disclosed
US-20170029390-A1 1,1,1-TRIFLUORO-3-HYDROXYPROPAN-2-YL CARBAMATE DERIVATIVES AND 1,1,1-TRIFLUORO-4-HYDROXYBUTAN-2-YL CARBAMATE DERIVATIVES AS MAGL INHIBITORS PFIZER INC. (US) 2017-02-02 — — 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 (4 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-20170029390-A1 1,1,1-TRIFLUORO-3-HYDROXYPROPAN-2-YL CARBAMATE DERIVATIVES AND 1,1,1-TRIFLUORO-4-HYDROXYBUTAN-2-YL CARBAMATE DERIVATIVES AS MAGL INHIBITORS MAG, PYM1, HIF1AN MGLL 22/4885RORC 3202/4885MMP13 510/4885
US-20180065943-A1 1,1,1-TRIFLUORO-3-HYDROXYPROPAN-2-YL CARBAMATE DERIVATIVES AND 1,1,1-TRIFLUORO-4-HYDROXYBUTAN-2-YL CARBAMATE DERIVATIVES AS MAGL INHIBITORS MAG, PYM1, HIF1AN MGLL 22/4885RORC 3202/4885MMP13 510/4885
US-10723711-B2 1,1,1-trifluoro-3-hydroxypropan-2-yl carbamate derivatives and 1,1,1-trifluoro-4-hydroxybutan-2-yl carbamate derivatives as MAGL inhibitors MAG, PYM1, HIF1AN MGLL 22/4885RORC 3202/4885MMP13 510/4885
US-10428034-B2 1,1,1-trifluoro-3-hydroxypropan-2-yl carbamate derivatives and 1,1,1-trifluoro-4-hydroxybutan-2-yl carbamate derivatives as MAGL inhibitors MAG, PYM1, HIF1AN MGLL 22/4885RORC 3202/4885MMP13 510/4885

“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.

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