SCHEMBL17158608

SCHEMBL17158608

CCC1(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCOC(c2ccc(Cl)cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KDM1A O60341 3/20 0.36
▸ HTR6 P50406 2/20 0.36
▸ RCOR1 Q9UKL0 1/20 0.36
▸ RORC P51449 2/20 0.36
▸ PKM P14618 1/20 0.35
▸ PKLR P30613 1/20 0.35
▸ MOGAT2 Q3SYC2 1/20 0.35
▸ CNR1 P21554 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34

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
SCHEMBL17158458 0.90 TSHR (0.37) TSHRMEN1KMT2ASMN1; SMN2KDM1A
SCHEMBL17158396 0.90 TSHR (0.37) TSHRMEN1KMT2ASMN1; SMN2KDM1A
SCHEMBL17158532 0.85 MEN1 (0.38) TSHRMEN1KMT2ASMN1; SMN2KDM1A
SCHEMBL17158447 0.85 MEN1 (0.38) TSHRMEN1KMT2ASMN1; SMN2KDM1A
SCHEMBL17177013 0.85 MEN1 (0.38) TSHRMEN1KMT2ASMN1; SMN2KDM1A
SCHEMBL17158379 0.85 MEN1 (0.38) TSHRMEN1KMT2ASMN1; SMN2KDM1A
SCHEMBL17158380 0.85 MEN1 (0.38) TSHRMEN1KMT2ASMN1; SMN2KDM1A
SCHEMBL17158386 0.84 TACR1 (0.38) TSHRSMN1; SMN2RORC
SCHEMBL28125597 0.83 SLC20A2 (0.38) TSHRMEN1KMT2ASMN1; SMN2KDM1A
SCHEMBL21049714 0.83 TSHR (0.43) TSHRSMN1; SMN2KDM1AHTR6RCOR1

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 17 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
EP-3131884-A1 ARYL SUBSTITUTED HETEROCYCLYL SULFONES Grünenthal GmbH (DE) 2017-02-22 — — EP claimed
WO-2015158426-A1 ARYL SUBSTITUTED HETEROCYCLYL SULFONES Grünenthal GmbH (DE) 2015-10-22 — — WO 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 TSHR 3297/4885MEN1 4361/4885KMT2A 4031/4885

“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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