SCHEMBL9220399

SCHEMBL9220399

FC(F)c1cccc(S)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.36
PGK1 P00558 2/20 0.35
PGK2 P07205 2/20 0.35
KIF11 P52732 1/20 0.35
DAO P14920 1/20 0.34
TRPV4 Q9HBA0 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
IDO1 P14902 1/20 0.31
RXRA P19793 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30

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
SCHEMBL1538725 0.81 PGK1 (0.48) NOTUMPGK1PGK2KIF11DAO
SCHEMBL458729 0.80 HDAC4 (0.47) NOTUMKIF11RXRAGRIN1GRIN2B
SCHEMBL28648350 0.78 HDAC4 (0.32)
SCHEMBL10822537 0.76 ADRB1 (0.38)
SCHEMBL13552422 0.76 ADRB1 (0.38)
SCHEMBL24452119 0.76 ADRB1 (0.38)
SCHEMBL13934964 0.76 KMT2A (0.47)
SCHEMBL6146473 0.76 PGK1 (0.31) PGK1PGK2
SCHEMBL13711035 0.76 HTR2A (0.37)
SCHEMBL20902925 0.75 PGK1 (0.31) PGK1PGK2IDO1

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 35 patents — showing the first 20. 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 disclosed
CN-106458956-B The heterocycle sulfone that heteroaryl replaces 格吕伦塔尔有限公司 2019-06-14 CN disclosed
EP-3495360-A1 HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES Grünenthal GmbH (DE) 2019-06-12 EP disclosed
EP-3470406-A1 ARYL SUBSTITUTED HETEROCYCLYL SULFONES Grünenthal GmbH (DE) 2019-04-17 EP disclosed
US-9926302-B2 Heteroaryl substituted heterocyclyl sulfones Grünenthal GmbH (DE) 2018-03-27 US disclosed
US-9926302-B2 Heteroaryl substituted heterocyclyl sulfones Grünenthal GmbH (DE) 2018-03-27 US disclosed
US-9896440-B2 Aryl substituted heterocyclyl sulfones Grünenthal GmbH (DE) 2018-02-20 US disclosed
US-9879000-B2 Heteroaryl substituted heterocyclyl sulfones Grünenthal GmbH (DE) 2018-01-30 US disclosed
US-9879000-B2 Heteroaryl substituted heterocyclyl sulfones Grünenthal GmbH (DE) 2018-01-30 US disclosed
US-20170121314-A1 HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES Grünenthal GmbH (DE) 2017-05-04 US disclosed
EP-2058317-A1 AMINOPHOSPHORIC ACID ESTER DERIVATIVE AND S1P RECEPTOR MODULATOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2009-05-13 EP disclosed
US-5455355-A Postemergence, preemergence herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-10-03 US disclosed
EP-0468690-B1 Pyrimidine derivatives SUMITOMO CHEMICAL CO (JP) 1995-05-31 EP disclosed
US-5298632-A Herbicidal pyrimidine compounds, compositions containing the same and method of use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-03-29 US disclosed
US-5232897-A Herbicidal pyrimidine compounds, compositions containing the same and method of use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-08-03 US disclosed
US-5135563-A Herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-08-04 US disclosed
US-5129938-A Herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-07-14 US disclosed
EP-0469711-A1 Pyrimidine derivative SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-02-05 EP disclosed
EP-0468690-A1 Pyrimidine derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-01-29 EP disclosed
EP-0457505-A2 Pyrimidine derivatives and their use as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-11-21 EP 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-20170121314-A1 HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES TRPV1, CACNA1B, CACNA1C NOTUM 3275/4885PGK1 2563/4885PGK2 1927/4885

“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.