SCHEMBL20393713

SCHEMBL20393713

CCn1c(-c2ccccc2)nc(-c2nc3cc(C(F)(F)F)ncc3n2C)c1S(=O)(=O)CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 1/20 0.42
▸ PTGER4 P35408 3/20 0.37
▸ DHODH Q02127 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ S1PR1 P21453 3/20 0.35
▸ ACSS2 Q9NR19 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ DHFR P00374 1/20 0.35
▸ GHSR Q92847 1/20 0.35
▸ RORC P51449 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KMT2A Q03164 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
SCHEMBL20393708 0.92 PTGS2 (0.40) NLRP3PTGER4DHODHLMNASMN1; SMN2
SCHEMBL20393714 0.91 PTGS2 (0.38) PTGER4LMNAHTTSMN1; SMN2PTGS2
SCHEMBL20393715 0.87 RORC (0.36) PTGER4DHODHPTGS2S1PR1ACSS2
SCHEMBL21715798 0.85 LMNA (0.37) PTGER4LMNAHTTSMN1; SMN2PTGS2
SCHEMBL21715796 0.85 LMNA (0.36) PTGER4LMNAHTTSMN1; SMN2S1PR1
SCHEMBL17432154 0.84 DHODH (0.39) DHODHLMNASMN1; SMN2PTGS2S1PR1
SCHEMBL20393848 0.83 MEN1 (0.39) LMNASMN1; SMN2PTGS2HPGDRORC
SCHEMBL20393843 0.83 PTGS2 (0.46) PTGS2ATM
SCHEMBL20393874 0.83 LMNA (0.35) LMNAHTTSMN1; SMN2S1PR1ACSS2
SCHEMBL20393710 0.83 PTGS2 (0.42) PTGS2RORC

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 NLRP3 1411/4885PTGER4 4361/4885DHODH 517/4885
US-20200045976-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, CBR3, CBR1 NLRP3 1411/4885PTGER4 4361/4885DHODH 517/4885

“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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