SCHEMBL6799340

SCHEMBL6799340

FC(F)=C(F)CCCCSc1nc2ccccc2s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.65
CYP2D6 P10635 3/20 0.65
SMN1; SMN2 Q16637 4/20 0.60
ALDH1A1 P00352 3/20 0.60
MAPK1 P28482 2/20 0.60
POLB P06746 1/20 0.60
HPGD P15428 1/20 0.60
TSHR P16473 1/20 0.60
HSD17B10 Q99714 1/20 0.60
CYP2C19 P33261 3/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2C9 P11712 1/20 0.58
STAT6 P42226 1/20 0.58
KDM4E B2RXH2 1/20 0.58
GFER P55789 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.56
HIF1A Q16665 1/20 0.56
LMNA P02545 3/20 0.56
HTT P42858 2/20 0.56
NPC1 O15118 1/20 0.56

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
SCHEMBL9186785 0.90 CYP1A2 (0.71) CYP1A2CYP2D6SMN1; SMN2ALDH1A1MAPK1
SCHEMBL6141647 0.85 CYP1A2 (0.83) CYP1A2CYP2D6SMN1; SMN2ALDH1A1MAPK1
Bromide SCHEMBL5084016 0.84 CYP1A2 (0.80) CYP1A2CYP2D6SMN1; SMN2ALDH1A1MAPK1
SCHEMBL10535954 0.83 SMN1; SMN2 (0.82) CYP1A2CYP2D6SMN1; SMN2ALDH1A1MAPK1
SCHEMBL14155879 0.82 SMN1; SMN2 (0.80) CYP1A2CYP2D6SMN1; SMN2ALDH1A1MAPK1
SCHEMBL13164429 0.82 SMN1; SMN2 (0.80) CYP1A2CYP2D6SMN1; SMN2ALDH1A1MAPK1
SCHEMBL7401382 0.81 CYP1A2 (0.71) CYP1A2CYP2D6SMN1; SMN2ALDH1A1MAPK1
SCHEMBL28621136 0.81 CYP1A2 (0.75) CYP1A2CYP2D6SMN1; SMN2ALDH1A1MAPK1
SCHEMBL5837665 0.80 CYP1A2 (1.00) CYP1A2CYP2D6SMN1; SMN2ALDH1A1MAPK1
SCHEMBL20545556 0.79 LMNA (0.67) SMN1; SMN2ALDH1A1MAPK1POLBHPGD

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 CYP1A2 25/4885CYP2D6 106/4885SMN1; SMN2 3173/4885

“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.