SCHEMBL18446124

SCHEMBL18446124

CN(CC1(O)CCN(C(=O)O)CC1)S(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.44
▸ ADRB2 P07550 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ AVPR1A P37288 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HPGD P15428 2/20 0.39
▸ HSD11B1 P28845 1/20 0.39
▸ CXCR4 P61073 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HTT P42858 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ PTGES O14684 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 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
SCHEMBL18418239 0.85 RORC (0.45) TSHRCCR5
SCHEMBL18422868 0.80 HTR2C (0.42) KDM4EALDH1A1SMN1; SMN2HSD11B1KMT2A
SCHEMBL18422151 0.79 MGLL (0.49) KDM4EADRB2HSD17B10ALDH1A1HPGD
SCHEMBL18418237 0.79 MGLL (0.49) KDM4EADRB2HSD17B10ALDH1A1HPGD
SCHEMBL28077641 0.77 TSHR (0.44) KDM4EADRB2HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL27655696 0.76 NAMPT (0.43) KDM4EAVPR1AALDH1A1CA12CA9
SCHEMBL28026857 0.73 KMT2A (0.37) AVPR1AKMT2A
SCHEMBL18445949 0.73 SMN1; SMN2 (0.46) KDM4EALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL28049009 0.72 AVPR1A (0.43) AVPR1ACYP2C9KMT2A
SCHEMBL5131391 0.71 AVPR1A (0.47) KDM4EADRB2HSD17B10AVPR1AALDH1A1

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 4 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
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
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

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-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 KDM4E 1858/4885ADRB2 3063/4885HSD17B10 909/4885

“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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