SCHEMBL16667145

SCHEMBL16667145

CC[S+]([O-])c1ccc(-c2nc3cc(C(F)(F)F)ccc3s2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ILK Q13418 2/20 0.46
DYRK1A Q13627 1/20 0.42
TNF P01375 1/20 0.41
NOD1 Q9Y239 1/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
GFER P55789 1/20 0.41
NFKB2 Q00653 1/20 0.41
KMT2A Q03164 1/20 0.41
RELA Q04206 1/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL16667062 0.80 DYRK1A (0.48) ILKDYRK1ATNFNOD1MAPT
SCHEMBL9953759 0.79 ILK (0.48) ILKDYRK1ATNFNOD1MAPT
SCHEMBL3055139 0.77 MAPT (0.69) ILKMAPTKDM4EMEN1NPC1
SCHEMBL4804958 0.77 MAPT (0.56) ILKDYRK1ATNFNOD1MAPT
SCHEMBL11894585 0.77 ILK (0.48) ILKDYRK1AAGPAT2ALOX5
SCHEMBL2138665 0.76 ILK (0.54) ILKDYRK1ATNFNOD1MAPT
SCHEMBL15462903 0.76 ATP4A (0.56) ILKDYRK1AMAPTKDM4EMEN1
SCHEMBL12470870 0.76 KDM4E (0.59) ILKDYRK1AMAPTKDM4EMEN1
SCHEMBL8704110 0.75 KDM4E (0.55) ILKDYRK1ATNFNOD1MAPT
SCHEMBL3921428 0.74 MAPT (0.67) ILKDYRK1ATNFNOD1MAPT

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
CN-103261170-B Fused heterocyclic compounds and their use for pest control 住友化学株式会社 2016-08-24 CN disclosed
US-20150148308-A1 PEST CONTROL COMPOSITION FOR HARMFUL ARTHROPODS, AND PEST CONTROL METHOD FOR HARMFUL ARTHROPODS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-05-28 US disclosed
EP-2865266-A1 PEST CONTROL COMPOSITION FOR HARMFUL ARTHROPODS, AND PEST CONTROL METHOD FOR HARMFUL ARTHROPODS Sumitomo Chemical Company, Limited (JP) 2015-04-29 EP disclosed
CN-104394694-A Pest control composition for harmful arthropods, and pest control method for harmful arthropods SUMITOMO CHEMICAL CO 2015-03-04 CN 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-20150148308-A1 PEST CONTROL COMPOSITION FOR HARMFUL ARTHROPODS, AND PEST CONTROL METHOD FOR HARMFUL ARTHROPODS SFXN1, OSR1, PIR ILK 4311/4885DYRK1A 3884/4885TNF 2912/4885

“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.