SCHEMBL2431992

SCHEMBL2431992

O=S(=O)(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
XBP1 P17861 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CA2 P00918 1/20 0.31
CYP2C9 P11712 1/20 0.30
RECQL P46063 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
SCHEMBL9143140 0.93 TSHR (0.41) TSHRCYP1A2CYP2C19USP2MAPT
SCHEMBL2489264 0.93 TSHR (0.41) TSHRCYP1A2CYP2C19USP2MAPT
SCHEMBL12643973 0.83 CA2 (0.36) CA2
SCHEMBL22117313 0.82 CA2 (0.39) TSHRCYP1A2CYP2C19USP2MAPT
SCHEMBL12201110 0.81 TSHR (0.37) TSHRCYP1A2CYP2C19USP2MAPT
SCHEMBL2434048 0.79 CA2 (0.34) CA2
SCHEMBL1855129 0.79 CA2 (0.39) CA2
SCHEMBL2487801 0.78 CA2 (0.33) CA2
SCHEMBL9141595 0.76 CA2 (0.34) CA2
SCHEMBL3032133 0.76 CA2 (0.34) CA2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107074781-B Pyrimidinone compounds 住友化学株式会社 2020-01-17 CN disclosed
EP-3202762-B1 PYRIMIDINONE COMPOUND SUMITOMO CHEMICAL CO (JP) 2019-06-19 EP disclosed
US-9802930-B1 Pyrimidinone compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-31 US disclosed
US-20170305896-A1 PYRIMIDINONE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-26 US disclosed
EP-3202762-A1 PYRIMIDINONE COMPOUND Sumitomo Chemical Company, Limited (JP) 2017-08-09 EP disclosed
US-8901170-B2 Malononitrile compounds BASF SE (DE) 2014-12-02 US disclosed
CN-101506150-B Malononitrile compounds BASF SE 2013-08-28 CN disclosed
EP-1697311-B1 NITRILE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL CO (JP) 2011-10-26 EP disclosed
US-8017656-B2 Organic sulfur compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-09-13 US disclosed
US-20100215777-A1 Malononitrile Compounds BASF SE (DE) 2010-08-26 US disclosed
EP-2044008-A1 MALONONITRILE COMPOUNDS BASF SE (DE) 2009-04-08 EP disclosed
EP-1951664-A1 ORGANIC SULFUR COMPOUNDS AND USE THEREOF AS ARTHROPODICIDES Sumitomo Chemical Company, Limited (JP) 2008-08-06 EP disclosed
CN-100390140-C Nitrile compounds and their use in pest control SUMITOMO CHEMICAL CO (JP) 2008-05-28 CN disclosed
WO-2007147888-A1 MALONONITRILE COMPOUNDS BASF SE (DE) 2007-12-27 WO disclosed
WO-2007060839-A1 ORGANIC SULFUR COMPOUNDS AND USE THEREOF AS ARTHROPODICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-31 WO disclosed
US-20070112068-A1 Nitrile compound and its use in pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-17 US disclosed
US-20070112068-A1 Nitrile compound and its use in pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-17 US disclosed
CN-1898200-A Nitrile compound and its pest control use SUMITOMO CHEMICAL CO (JP) 2007-01-17 CN disclosed
EP-1697311-A1 NITRILE COMPOUND AND ITS USE IN PEST CONTROL Sumitomo Chemical Company, Limited (JP) 2006-09-06 EP disclosed
WO-2005063694-A1 NITRILE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-07-14 WO 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 (3 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-20070112068-A1 Nitrile compound and its use in pest control C5, C9, C1S TSHR 1172/4885CYP1A2 124/4885CYP2C19 254/4885
US-20170305896-A1 PYRIMIDINONE COMPOUND C5, C3AR1, CCR3 TSHR 624/4885CYP1A2 274/4885CYP2C19 696/4885
US-20100215777-A1 Malononitrile Compounds MAL2, DDT, ACHE TSHR 4062/4885CYP1A2 157/4885CYP2C19 371/4885

“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.