SCHEMBL6803565

SCHEMBL6803565

O=S(=O)(CCCCC(F)=C(F)F)c1nc2ccccc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.56
HTT P42858 6/20 0.56
SMN1; SMN2 Q16637 6/20 0.56
MAPT P10636 5/20 0.56
LMNA P02545 4/20 0.56
KMT2A Q03164 4/20 0.56
PSMB8 P28062 1/20 0.52
PSMB5 P28074 1/20 0.52
MEN1 O00255 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA7 P43166 1/20 0.48
CA14 Q9ULX7 1/20 0.48
TP53 P04637 1/20 0.47
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 2/20 0.40

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
SCHEMBL20566310 0.84 SMN1; SMN2 (0.57) ALDH1A1HTTSMN1; SMN2MAPTLMNA
SCHEMBL13164434 0.83 SMN1; SMN2 (0.56) ALDH1A1HTTSMN1; SMN2MAPTLMNA
SCHEMBL10807598 0.80 ALDH1A1 (0.59) ALDH1A1HTTSMN1; SMN2MAPTLMNA
SCHEMBL1505008 0.79 ALDH1A1 (0.58) ALDH1A1HTTSMN1; SMN2MAPTLMNA
SCHEMBL9393802 0.78 PSMB8 (0.65) ALDH1A1HTTSMN1; SMN2MAPTLMNA
SCHEMBL7905772 0.77 ALDH1A1 (0.65) ALDH1A1HTTSMN1; SMN2MAPTLMNA
SCHEMBL7039613 0.76 ALDH1A1 (0.57) ALDH1A1HTTSMN1; SMN2MAPTLMNA
SCHEMBL6814325 0.75 HDAC6 (0.40) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL5849619 0.74 ALDH1A1 (0.41) ALDH1A1HTTSMN1; SMN2MAPTLMNA
SCHEMBL30732411 0.74 PSMB8 (0.69) ALDH1A1HTTSMN1; SMN2MAPTLMNA

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 ALDH1A1 351/4885HTT 104/4885SMN1; 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.