SCHEMBL18422152

SCHEMBL18422152

CCCCCC=CCC=CCC=CCC=CCCCC(=O)Oc1cc2ccc(O)cc2oc1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ MAPT P10636 4/20 0.45
▸ HPGD P15428 3/20 0.45
▸ THRB P10828 2/20 0.45
▸ GLA P06280 1/20 0.45
▸ CNR1 P21554 5/20 0.44
▸ CNR2 P34972 4/20 0.44
▸ MIF P14174 2/20 0.44
▸ PSMB11 A5LHX3 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ PSMA7 O14818 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ PSMB1 P20618 1/20 0.44
▸ PSMA1 P25786 1/20 0.44

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
SCHEMBL18423283 1.00 ELANE (0.46) ELANEALDH1A1MAPTHPGDTHRB
SCHEMBL6267768 0.82 NDUFS8 (0.55) ELANEALDH1A1MAPTHPGDCNR1
SCHEMBL1501288 0.82 POLB (0.45) ALDH1A1MAPTHPGDGLAMIF
SCHEMBL14693924 0.81 MIF (0.47) ALDH1A1MAPTGLAMIFMEN1
SCHEMBL4292455 0.78 MIF (0.42) ALDH1A1MAPTHPGDTHRBGLA
Arachidonic Acid SCHEMBL28529406 0.77 ALDH1A1 (0.56) ALDH1A1MAPTHPGDTHRBGLA
SCHEMBL28529405 0.76 NDUFS8 (0.57) ALDH1A1MAPTHPGDGLACNR1
SCHEMBL712741 0.76 NDUFS8 (0.57) ALDH1A1MAPTHPGDGLACNR1
SCHEMBL12081709 0.76 NDUFS8 (0.57) ALDH1A1MAPTHPGDGLACNR1
SCHEMBL27912643 0.75 ELANE (0.52) ELANEALDH1A1MAPTHPGDTHRB

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11767302-B2 Reagents and methods for tetrazine synthesis UNIVERSITY OF DELAWARE (US) 2023-09-26 — — US disclosed
US-20220106278-A1 REAGENTS AND METHODS FOR TETRAZINE SYNTHESIS UNIVERSITY OF DELAWARE (US) 2022-04-07 — — US disclosed
US-20210309669-A1 Heterocyclic Spiro Compounds As MAGL Inhibitors PFIZER INC. (US) 2021-10-07 — — US disclosed
EP-3571202-B1 HETEROCYCLIC SPIRO COMPOUNDS AS MAGL INHIBITORS PFIZER (US) 2021-06-30 — — EP disclosed
EP-3823723-A1 HETEROCYCLIC SPIRO COMPOUNDS AS MAGL INHIBITORS Pfizer Inc. (US) 2021-05-26 — — EP disclosed
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
US-10858373-B2 Heterocyclic spiro compounds as MAGL inhibitors PFIZER INC. (US) 2020-12-08 — — US 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-10626125-B2 1,1,1-trifluoro-3-hydroxypropan-2-yl carbamate derivatives as MAGL inhibitors PFIZER INC. (US) 2020-04-21 — — US disclosed
US-10329308-B2 1,1,1-trifluoro-3-hydroxypropan-2-yl carbamate derivatives as MAGL inhibitors PFIZER INC. (US) 2019-06-25 — — US disclosed
US-20180208608-A1 HETEROCYCLIC SPIRO COMPOUNDS AS MAGL INHIBITORS PFIZER (US) 2018-07-26 — — US disclosed
US-20180208607-A1 1,1,1-TRIFLUORO-3-HYDROXYPROPAN-2-YL CARBAMATE DERIVATIVES AS MAGL INHIBITORS PFIZER INC. (US) 2018-07-26 — — US disclosed
WO-2018134695-A1 1,1,1-TRIFLUORO-3-HYDROXYPROPAN-2-YL CARBAMATE DERIVATIVES AS MAGL INHIBITORS PFIZER INC. (US) 2018-07-26 — — WO disclosed
WO-2018134698-A1 HETEROCYCLIC SPIRO COMPOUNDS AS MAGL INHIBITORS PFIZER INC. (US) 2018-07-26 — — WO disclosed
EP-3328849-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) 2018-06-06 — — EP 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
WO-2017021805-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) 2017-02-09 — — WO 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 (11 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 ELANE 2560/4885ALDH1A1 471/4885MAPT 29/4885
US-10626125-B2 1,1,1-trifluoro-3-hydroxypropan-2-yl carbamate derivatives as MAGL inhibitors MAG, PYM1, HIF1AN ELANE 3630/4885ALDH1A1 448/4885MAPT 21/4885
US-20180208607-A1 1,1,1-TRIFLUORO-3-HYDROXYPROPAN-2-YL CARBAMATE DERIVATIVES AS MAGL INHIBITORS MAG, PYM1, HIF1AN ELANE 3630/4885ALDH1A1 448/4885MAPT 21/4885
US-11767302-B2 Reagents and methods for tetrazine synthesis TST, CYP4F8, CYP4Z1 ELANE 2205/4885ALDH1A1 874/4885MAPT 1269/4885
US-10329308-B2 1,1,1-trifluoro-3-hydroxypropan-2-yl carbamate derivatives as MAGL inhibitors MAG, PYM1, HIF1AN ELANE 3630/4885ALDH1A1 448/4885MAPT 21/4885
US-20220106278-A1 REAGENTS AND METHODS FOR TETRAZINE SYNTHESIS TST, CYP4F8, CYP4Z1 ELANE 2205/4885ALDH1A1 874/4885MAPT 1269/4885
US-20180208608-A1 HETEROCYCLIC SPIRO COMPOUNDS AS MAGL INHIBITORS MAG, MAGI3, APC ELANE 4701/4885ALDH1A1 408/4885MAPT 12/4885
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 ELANE 2560/4885ALDH1A1 471/4885MAPT 29/4885
US-20210309669-A1 Heterocyclic Spiro Compounds As MAGL Inhibitors MAG, ECH1, ECHS1 ELANE 2606/4885ALDH1A1 135/4885MAPT 272/4885
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 ELANE 2560/4885ALDH1A1 471/4885MAPT 29/4885
US-10858373-B2 Heterocyclic spiro compounds as MAGL inhibitors MAG, MAGI3, APC ELANE 4701/4885ALDH1A1 408/4885MAPT 12/4885

“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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