SCHEMBL17158380

SCHEMBL17158380

CC1(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCOC(c2ccc(Cl)cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KDM1A O60341 2/20 0.36
▸ HTR1A P08908 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HTR6 P50406 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MCOLN3 Q8TDD5 1/20 0.35
▸ RORC P51449 1/20 0.35

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
SCHEMBL17158379 1.00 MEN1 (0.38) MEN1KMT2ATSHRKDM1AHTR1A
SCHEMBL17158447 1.00 MEN1 (0.38) MEN1KMT2ATSHRKDM1AHTR1A
SCHEMBL17177013 1.00 MEN1 (0.38) MEN1KMT2ATSHRKDM1AHTR1A
SCHEMBL17158532 1.00 MEN1 (0.38) MEN1KMT2ATSHRKDM1AHTR1A
SCHEMBL17158424 0.90 HTR1A (0.36) MEN1KMT2ATSHRHTR1AHTT
SCHEMBL17158480 0.90 HTR1A (0.38) TSHRHTR1AHTR6MAPTRORC
SCHEMBL17158436 0.90 TSHR (0.38) TSHRHTR1ARORCCHRM2DRD3
SCHEMBL17158469 0.90 MEN1 (0.39) MEN1KMT2ATSHRKDM1ANPSR1
SCHEMBL20901633 0.88 TSHR (0.37) TSHRHTR1ANPSR1GAARORC
SCHEMBL17158577 0.88 PSEN1 (0.33) NPSR1CYP3A4CYP2D6CYP2C9GAA

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-106458955-B Aryl substituted heterocyclyl sulfones 格吕伦塔尔有限公司 2019-07-19 — — CN claimed
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
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 MEN1 4361/4885KMT2A 4031/4885TSHR 3297/4885

“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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