SCHEMBL6804120

SCHEMBL6804120

[O-][S+](CCCCC(F)=C(F)F)c1nc2ccccc2s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2D6 P10635 3/20 0.37
HPGD P15428 2/20 0.36
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 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
SCHEMBL10925896 0.80 NPC1 (0.40) SMN1; SMN2CYP1A2CYP2D6MAPK1ALDH1A1
SCHEMBL10922582 0.80 NPC1 (0.40) SMN1; SMN2CYP1A2CYP2D6MAPK1ALDH1A1
SCHEMBL10925047 0.79 NPC1 (0.42) SMN1; SMN2ALOX15CYP1A2CYP2D6HPGD
SCHEMBL11376480 0.79 UBE2T (0.41) SMN1; SMN2ALOX15HTTCYP1A2CYP2D6
SCHEMBL19385848 0.76 FBP1 (0.43) SMN1; SMN2ALOX15CYP1A2CYP2D6HPGD
SCHEMBL19385849 0.76 FBP1 (0.43) SMN1; SMN2ALOX15CYP1A2CYP2D6HPGD
SCHEMBL9186126 0.76 UBE2T (0.36) SMN1; SMN2ALOX15HTTCYP1A2CYP2D6
SCHEMBL5848920 0.74 CYP2A6 (0.31)
SCHEMBL6799340 0.73 CYP1A2 (0.65) SMN1; SMN2HTTCYP1A2CYP2D6HPGD
SCHEMBL10926335 0.73 MAPT (0.52) SMN1; SMN2ALOX15CYP1A2MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6710045-B2 FOR CONTROLLING ANIMAL PESTS, IN PARTICULAR INSECTS, ARACHNIDS AND NEMATODES BAYER CROPSCIENCE AG (DE) 2004-03-23 US disclosed
US-20030187259-A1 Heterocylic fluoroalkenyl thioethers and the use thereof as pesticides (IV) BAYER CROPSCIENCE AG (DE) 2003-10-02 US disclosed
EP-1311497-A1 HETEROCYCLIC FLUOROALKENYL THIOETHERS AND THE USE THEREOF AS PESTICIDES (IV) Bayer CropScience AG (DE) 2003-05-21 EP disclosed
WO-2002006259-A1 HETEROCYCLIC FLUOROALKENYL THIOETHERS AND THE USE THEREOF AS PESTICIDES (IV) BAYER CROPSCIENCE AG (DE) 2002-01-24 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-20030187259-A1 Heterocylic fluoroalkenyl thioethers and the use thereof as pesticides (IV) DDT, CYP4F2, CYP4F3 SMN1; SMN2 3173/4885ALOX15 335/4885HTT 104/4885

“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.