SCHEMBL17158577

SCHEMBL17158577

CC1(S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)CCOC(c2ccc(Cl)cc2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 13/20 0.33
▸ PSEN2 P49810 13/20 0.33
▸ APH1B Q8WW43 13/20 0.33
▸ NCSTN Q92542 13/20 0.33
▸ APH1A Q96BI3 13/20 0.33
▸ PSENEN Q9NZ42 13/20 0.33
▸ S1PR2 O95136 1/20 0.33
▸ DDR1 Q08345 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CYP3A4 P08684 2/20 0.32
▸ APP P05067 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ SLC18A2 Q05940 1/20 0.32
▸ ACLY P53396 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31

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
SCHEMBL17158442 0.90 S1PR2 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17158554 0.90 PTGS1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17158485 0.88 TACR1 (0.31) —
SCHEMBL17158380 0.88 MEN1 (0.38) GAAMAPTNPSR1CYP3A4CYP2D6
SCHEMBL17158532 0.88 MEN1 (0.38) GAAMAPTNPSR1CYP3A4CYP2D6
SCHEMBL17158379 0.88 MEN1 (0.38) GAAMAPTNPSR1CYP3A4CYP2D6
SCHEMBL17177013 0.88 MEN1 (0.38) GAAMAPTNPSR1CYP3A4CYP2D6
SCHEMBL17158447 0.88 MEN1 (0.38) GAAMAPTNPSR1CYP3A4CYP2D6
SCHEMBL17158424 0.81 HTR1A (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17158476 0.81 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3470406-A1 ARYL SUBSTITUTED HETEROCYCLYL SULFONES Grünenthal GmbH (DE) 2019-04-17 — — EP claimed
US-9896440-B2 Aryl substituted heterocyclyl sulfones Grünenthal GmbH (DE) 2018-02-20 — — US claimed
US-20150291573-A1 ARYL SUBSTITUTED HETEROCYCLYL SULFONES Grünenthal GmbH (DE) 2015-10-15 — — US claimed
CN-106458955-B Aryl substituted heterocyclyl sulfones 格吕伦塔尔有限公司 2019-07-19 — — CN disclosed
EP-3470406-A1 ARYL SUBSTITUTED HETEROCYCLYL SULFONES Grünenthal GmbH (DE) 2019-04-17 — — EP disclosed
US-9896440-B2 Aryl substituted heterocyclyl sulfones Grünenthal GmbH (DE) 2018-02-20 — — US disclosed
US-9896440-B2 Aryl substituted heterocyclyl sulfones Grünenthal GmbH (DE) 2018-02-20 — — US disclosed
EP-3131884-A1 ARYL SUBSTITUTED HETEROCYCLYL SULFONES Grünenthal GmbH (DE) 2017-02-22 — — EP disclosed
CN-106458955-A Aryl substituted heterocyclyl sulfones 格吕伦塔尔有限公司 2017-02-22 — — CN disclosed
WO-2015158426-A1 ARYL SUBSTITUTED HETEROCYCLYL SULFONES Grünenthal GmbH (DE) 2015-10-22 — — WO disclosed
WO-2015158426-A1 ARYL SUBSTITUTED HETEROCYCLYL SULFONES Grünenthal GmbH (DE) 2015-10-22 — — WO disclosed
US-20150291573-A1 ARYL SUBSTITUTED HETEROCYCLYL SULFONES Grünenthal GmbH (DE) 2015-10-15 — — US disclosed
US-20150291573-A1 ARYL SUBSTITUTED HETEROCYCLYL SULFONES Grünenthal GmbH (DE) 2015-10-15 — — US disclosed
US-20150291573-A1 ARYL SUBSTITUTED HETEROCYCLYL SULFONES Grünenthal GmbH (DE) 2015-10-15 — — 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 (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-20150291573-A1 ARYL SUBSTITUTED HETEROCYCLYL SULFONES TRPV1, CACNA1B, CACNA1C PSEN1 721/4885PSEN2 736/4885APH1B 1071/4885

“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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