SCHEMBL4909752

SCHEMBL4909752

O=C1OCCN1S(=O)(=O)NCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.46
CA12 O43570 2/20 0.46
CA7 P43166 2/20 0.46
CA14 Q9ULX7 2/20 0.46
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
CA1 P00915 2/20 0.44
KEAP1 Q14145 1/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
NAAA Q02083 6/20 0.41
FAAH O00519 5/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 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
SCHEMBL13183037 0.86 PKM (0.46) CA2CA12CA7CA14HPGD
SCHEMBL3142704 0.81 ALDH1A1 (0.40) ALDH1A1POLBLMNA
SCHEMBL880087 0.81 HPGD (0.48) ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL22339610 0.80 NAAA (0.40) ALDH1A1KDM4ENAAAFAAHSMN1; SMN2
SCHEMBL14861251 0.79 ALDH1A1 (0.59) ALDH1A1HPGDPOLBLMNASMN1; SMN2
SCHEMBL13908429 0.78 MRGPRX4 (0.45) ALDH1A1NAAA
SCHEMBL18007741 0.78 KDM4E (0.44) CA2ALDH1A1CA1KEAP1KDM4E
SCHEMBL26020041 0.78 KMT2A (0.53) ALDH1A1HPGDKDM4EPOLBNAAA
SCHEMBL19955144 0.77 NAAA (0.43) NAAAFAAH
SCHEMBL1220907 0.74 GBA1 (0.36) ALDH1A1NAAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107849017-B 1,1, 1-trifluoro-3-hydroxypropan-2-ylcarbamate derivatives and 1,1, 1-trifluoro-4-hydroxybutyl-2-ylcarbamate derivatives as MAGL inhibitors 辉瑞公司 2021-03-30 CN 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
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
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
US-20080058376-A1 PIPERIDINES ICAGEN, INC. (US) 2008-03-06 US disclosed
US-7244744-B2 Piperidines ICAGEN, INC. (US) 2007-07-17 US disclosed
EP-1451173-A4 PIPERIDINES ICAGEN INC (US) 2005-10-26 EP disclosed
EP-1451173-A2 PIPERIDINES Icagen, Inc. (US) 2004-09-01 EP disclosed
US-20030171360-A1 Piperidines ICAGEN, INC. 2003-09-11 US disclosed
WO-2003037890-A2 PIPERIDINES ICAGEN, INC. (US) 2003-05-08 WO 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 (6 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 CA2 1148/4885CA12 3399/4885CA7 2994/4885
US-20080058376-A1 PIPERIDINES TRPV3, SCN3A, TRPV1 CA2 425/4885CA12 4580/4885CA7 3280/4885
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 CA2 1148/4885CA12 3399/4885CA7 2994/4885
US-20030171360-A1 Piperidines TRPV3, SCN3A, TRPV1 CA2 425/4885CA12 4580/4885CA7 3280/4885
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 CA2 1148/4885CA12 3399/4885CA7 2994/4885
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 CA2 1148/4885CA12 3399/4885CA7 2994/4885

“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.