SCHEMBL18819696

SCHEMBL18819696

CCS(=O)(=O)c1cc2ccccc2nc1-c1nc2cc([S+]([O-])C(F)(F)F)ccc2o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UTRN P46939 5/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ AHR P35869 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ MAOB P27338 1/20 0.36
▸ SLC47A1 Q96FL8 1/20 0.36
▸ CETP P11597 1/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ TP53 P04637 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PTPN2 P17706 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ PTPN5 P54829 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HSPD1 P10809 1/20 0.34
▸ HSPE1 P61604 1/20 0.34

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
SCHEMBL15616827 0.84 UTRN (0.47) UTRNCYP1A2AHRHDAC6MAOB
SCHEMBL16375379 0.83 UTRN (0.40) UTRNCYP1A2AHRHDAC6MAOB
SCHEMBL15858544 0.83 UTRN (0.42) UTRNCYP1A2AHRHDAC6MAOB
SCHEMBL29431651 0.83 UTRN (0.42) UTRNCYP1A2AHRHDAC6MAOB
SCHEMBL18819694 0.83 UTRN (0.53) UTRNCYP1A2AHRHDAC6MAOB
SCHEMBL18819691 0.83 UTRN (0.47) UTRNCYP1A2AHRHDAC6CETP
SCHEMBL32678416 0.82 UTRN (0.39) UTRNCYP1A2AHRHDAC6MAOB
SCHEMBL15847433 0.82 UTRN (0.39) UTRNCYP1A2AHRHDAC6MAOB
SCHEMBL21810400 0.82 UTRN (0.41) UTRNCYP1A2AHRHDAC6MAOB
SCHEMBL29431577 0.82 UTRN (0.39) UTRNCYP1A2AHRHDAC6MAOB

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
CN-108430986-B Fused bicyclic heterocyclic derivatives as pest control agents 拜耳作物科学股份公司 2021-08-31 — — CN disclosed
US-10550116-B2 Fused bicyclic heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-04 — — US disclosed
US-10550116-B2 Fused bicyclic heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-04 — — US disclosed
US-20180305353-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-10-25 — — US disclosed
WO-2017072039-A1 CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-05-04 — — 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 (2 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-20180305353-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, BCHE, ACHE UTRN 4667/4885CYP1A2 37/4885AHR 93/4885
US-10550116-B2 Fused bicyclic heterocycle derivatives as pesticides DDT, BCHE, ACHE UTRN 4667/4885CYP1A2 37/4885AHR 93/4885

“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.

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