SCHEMBL1787632

SCHEMBL1787632

CC(SCCC(F)(F)F)c1ccc(C(F)(F)F)cn1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.38
ALDH1A1 P00352 5/20 0.37
PKM P14618 1/20 0.37
PDE2A O00408 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
GPR139 Q6DWJ6 1/20 0.34
KDM4E B2RXH2 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.33
MAPK1 P28482 1/20 0.32
TRPV3 Q8NET8 1/20 0.32
GAA P10253 2/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL12314686 0.84 CCR1 (0.32) ALDH1A1PKM
SCHEMBL1789289 0.82 APLNR (0.31) L3MBTL1RAB9AHPGDMAPK1
SCHEMBL276832 0.73 KMT2A (0.43) POLBALDH1A1PDE2AL3MBTL1GPR139
SCHEMBL1791012 0.71 POLB (0.41) POLBALDH1A1PKMPDE2AL3MBTL1
SCHEMBL469235 0.71 POLB (0.43) POLBPDE2AGPR139KMT2AHPGD
SCHEMBL13104238 0.71 POLB (0.43) POLBPDE2AGPR139KMT2AHPGD
SCHEMBL13677362 0.71 POLB (0.43) POLBPDE2AGPR139KMT2AHPGD
SCHEMBL23122207 0.71 KMT2A (0.44) POLBALDH1A1PDE2AL3MBTL1GPR139
SCHEMBL14653779 0.71 KMT2A (0.44) POLBALDH1A1PDE2AGPR139KDM4E
SCHEMBL1792606 0.71 KMT2A (0.41) POLBALDH1A1PDE2AL3MBTL1GPR139

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263628-B2 Fluorine-containing organosulfur compound and pesticidal composition thereof SUMITOMO CHEMICAL COMPANY, LIMITED. (JP) 2012-09-11 US disclosed
US-8263628-B2 Fluorine-containing organosulfur compound and pesticidal composition thereof SUMITOMO CHEMICAL COMPANY, LIMITED. (JP) 2012-09-11 US disclosed
US-20110124651-A1 FLUORINE-CONTAINING ORGANOSULFUR COMPOUND AND PESTICIDAL COMPOSITION THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED. (JP) 2011-05-26 US disclosed
US-20110124651-A1 FLUORINE-CONTAINING ORGANOSULFUR COMPOUND AND PESTICIDAL COMPOSITION THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED. (JP) 2011-05-26 US disclosed
EP-2181094-A1 FLUORINE-CONTAINING ORGANOSULFUR COMPOUND AND PESTICIDAL COMPOSITION THEREOF Sumitomo Chemical Company, Limited (JP) 2010-05-05 EP disclosed
WO-2009025397-A1 FLUORINE-CONTAINING ORGANOSULFUR COMPOUND AND PESTICIDAL COMPOSITION THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-02-26 WO disclosed
WO-2009025397-A1 FLUORINE-CONTAINING ORGANOSULFUR COMPOUND AND PESTICIDAL COMPOSITION THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-02-26 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 (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-20110124651-A1 FLUORINE-CONTAINING ORGANOSULFUR COMPOUND AND PESTICIDAL COMPOSITION THEREOF DDT, AFF1, Q6ZSR9 POLB 4287/4885ALDH1A1 741/4885PKM 1688/4885

“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.