SCHEMBL19833673

SCHEMBL19833673

O[C@H]1C[C@H](Oc2cccc(OC(F)(F)F)c2)C1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.48
ABHD6 Q9BV23 1/20 0.48
SLC6A4 P31645 8/20 0.46
SLC6A2 P23975 7/20 0.46
SLC6A3 Q01959 7/20 0.46
PIM1 P11309 2/20 0.42
EPHX2 P34913 2/20 0.41
NOTUM Q6P988 1/20 0.41
SCN9A Q15858 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39

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
SCHEMBL22702800 1.00 MGLL (0.48) MGLLABHD6SLC6A4SLC6A2SLC6A3
SCHEMBL20270278 1.00 MGLL (0.48) MGLLABHD6SLC6A4SLC6A2SLC6A3
SCHEMBL21029363 1.00 MGLL (0.48) MGLLABHD6SLC6A4SLC6A2SLC6A3
SCHEMBL26933511 0.85 SLC6A4 (0.44) MGLLABHD6SLC6A4SLC6A2SLC6A3
SCHEMBL26933516 0.85 SLC6A4 (0.44) MGLLABHD6SLC6A4SLC6A2SLC6A3
SCHEMBL6411918 0.84 EPHX2 (0.48) MGLLABHD6SLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL30636396 0.84 MGLL (0.44) MGLLABHD6SLC6A4SLC6A2SLC6A3
SCHEMBL22702905 0.81 MGLL (0.46) MGLLABHD6SLC6A4SLC6A2SLC6A3
SCHEMBL6284659 0.80 PDK2 (0.47) MGLLABHD6SLC6A4SLC6A2SLC6A3
SCHEMBL3127016 0.80 SLC6A4 (0.54) MGLLABHD6SLC6A4SLC6A2SLC6A3

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-3555055-B1 HYDROXY ISOXAZOLE COMPOUNDS USEFUL AS GPR120 AGONISTS MERCK SHARP & DOHME LLC (US) 2022-08-03 EP disclosed
US-10934278-B2 Compounds AUTIFONY THERAPEUTICS LIMITED (GB) 2021-03-02 US disclosed
US-10864211-B2 Hydroxy isoxazole compounds useful as GPR120 agonists MERCK SHARP & DOHME CORP. (US) 2020-12-15 US disclosed
EP-3490977-B1 CYCLOBUTANE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED POTASSIUM CHANNELS AUTIFONY THERAPEUTICS LTD (GB) 2020-11-25 EP disclosed
US-20190269679-A1 HYDROXY ISOXAZOLE COMPOUNDS USEFUL AS GPR120 AGONISTS MERCK SHARP & DOHME CORP. (US) 2019-09-05 US disclosed
US-20190161479-A1 NOVEL COMPOUNDS AUTIFONY SRL (IT) 2019-05-30 US disclosed
WO-2018020263-A1 CYCLOBUTANE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED POTASSIUM CHANNELS AUTIFONY THERAPEUTICS LIMITED (GB) 2018-02-01 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 (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-10934278-B2 Compounds KCNA3, KCNN3, KCND3 MGLL 3630/4885ABHD6 3303/4885SLC6A4 312/4885
US-10864211-B2 Hydroxy isoxazole compounds useful as GPR120 agonists GPR119, GPR88, GPR180 MGLL 268/4885ABHD6 1080/4885SLC6A4 2073/4885
US-20190269679-A1 HYDROXY ISOXAZOLE COMPOUNDS USEFUL AS GPR120 AGONISTS GPR119, GPR88, GPR180 MGLL 268/4885ABHD6 1080/4885SLC6A4 2073/4885
US-20190161479-A1 NOVEL COMPOUNDS KCNN3, KCNA3, KCND3 MGLL 3549/4885ABHD6 3103/4885SLC6A4 380/4885

“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.