SCHEMBL1787300

SCHEMBL1787300

FC(F)(F)CCSCc1ccc(C(F)(F)F)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
DAO P14920 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 3/20 0.35
NPC1 O15118 1/20 0.35
RECQL P46063 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MBOAT4 Q96T53 1/20 0.34
PDE2A O00408 1/20 0.33
TEAD1 P28347 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B3 P37058 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 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
SCHEMBL1790656 0.81 DAO (0.40) DAOALDH1A1L3MBTL1RAB9A
SCHEMBL12314687 0.81 DAO (0.40) DAOALDH1A1PKM
SCHEMBL19557968 0.76 DAO (0.46) KMT2ADAOALDH1A1KDM1AMAOA
SCHEMBL24924149 0.76 KMT2A (0.43) KMT2ADAOALDH1A1KDM1AMAOA
SCHEMBL11951542 0.73 KMT2A (0.50) KMT2ADAOKDM1AMAOAMAOB
SCHEMBL30841845 0.70 KDM1A (0.48) KMT2ADAOALDH1A1KDM1AMAOA
SCHEMBL24468397 0.70 KDM1A (0.48) KMT2ADAOALDH1A1KDM1AMAOA
SCHEMBL1311336 0.70 KMT2A (0.47) KMT2ADAOKDM1AMAOAMAOB
SCHEMBL5262966 0.70 KMT2A (0.52) KMT2ADAOALDH1A1KDM1AMAOA
SCHEMBL2550872 0.70 KMT2A (0.52) KMT2ADAOALDH1A1KDM1AMAOA

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 5 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-20110124651-A1 FLUORINE-CONTAINING ORGANOSULFUR COMPOUND AND PESTICIDAL COMPOSITION THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED. (JP) 2011-05-26 US disclosed
CN-101835753-A Fluorine-containing organosulfur compound and pesticidal composition thereof SUMITOMO CHEMICAL CO 2010-09-15 CN 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

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 KMT2A 675/4885DAO 2897/4885ALDH1A1 741/4885

“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.