SCHEMBL17158404

SCHEMBL17158404

CCC1(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCOC(C2CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.43
▸ PKM P14618 1/20 0.40
▸ PKLR P30613 1/20 0.40
▸ CACNA1B Q00975 3/20 0.39
▸ RORC P51449 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ RCOR1 Q9UKL0 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ MMP1 P03956 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP8 P22894 1/20 0.36
▸ MMP13 P45452 1/20 0.36

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
SCHEMBL21049714 0.86 TSHR (0.43) TSHRPKMPKLRRORCHTR6
SCHEMBL17161027 0.83 TSHR (0.45) TSHRPKMPKLRRORCL3MBTL1
SCHEMBL17161033 0.82 TSHR (0.40) TSHRPKMPKLRCACNA1BRORC
SCHEMBL21089378 0.82 RORC (0.42) TSHRPKMPKLRRORCGAA
SCHEMBL17160978 0.82 TSHR (0.40) TSHRPKMPKLRCACNA1BRORC
SCHEMBL17161059 0.82 RORC (0.42) TSHRPKMPKLRRORCGAA
SCHEMBL28133662 0.81 MMP2 (0.43) TSHRPKMPKLRRORCHPGD
SCHEMBL17158608 0.80 TSHR (0.38) TSHRPKMPKLRRORCGAA
SCHEMBL17177767 0.80 ALDH1A1 (0.41) TSHRCACNA1BRORCKMT2AL3MBTL1
SCHEMBL17177790 0.80 TSHR (0.43) TSHRPKMPKLRCACNA1BRORC

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 TSHR 3297/4885PKM 2346/4885PKLR 2519/4885

“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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