SCHEMBL20393757

SCHEMBL20393757

CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)nc(-c2ccncc2F)n1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 5/20 0.35
▸ KCNH2 Q12809 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ GPBAR1 Q8TDU6 5/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL20393845 0.93 PTGS2 (0.37) PTGS2KCNH2CYP11B1CYP11B2SMN1; SMN2
SCHEMBL20393848 0.87 MEN1 (0.39) PTGS2KCNH2SMN1; SMN2NPC1RAB9A
SCHEMBL19366973 0.86 KCNH2 (0.35) PTGS2KCNH2CYP11B1CYP11B2SMN1; SMN2
SCHEMBL20393847 0.85 PTGS2 (0.39) PTGS2NPC1RAB9AKDM4ELMNA
SCHEMBL20393843 0.84 PTGS2 (0.46) PTGS2CYP11B1CYP11B2
SCHEMBL20393746 0.83 PTGDR2 (0.38) PTGS2PDE2A
SCHEMBL20393874 0.82 LMNA (0.35) KCNH2SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL20393708 0.82 PTGS2 (0.40) PTGS2KCNH2SMN1; SMN2NPC1RAB9A
SCHEMBL20393759 0.82 CA12 (0.34) PTGS2KCNH2CYP11B1CYP11B2NPC1
SCHEMBL20393867 0.81 CCNE2 (0.33) PTGS2KCNH2SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11083199-B2 Heterocycle derivatives as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2021-08-10 — — US disclosed
US-20200045976-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-13 — — US disclosed
WO-2018130443-A1 HETEROCYCLENE DERIVATIVES AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2018-07-19 — — 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-11083199-B2 Heterocycle derivatives as pesticides DDT, CBR3, CBR1 PTGS2 3487/4885KCNH2 400/4885CYP11B1 195/4885
US-20200045976-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, CBR3, CBR1 PTGS2 3487/4885KCNH2 400/4885CYP11B1 195/4885

“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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