SCHEMBL20393626

SCHEMBL20393626

CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)nc(-c2ccc(Cl)s2)n1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 6/20 0.35
▸ PTGS1 P23219 4/20 0.35
▸ KCNH2 Q12809 1/20 0.32
▸ GRIN2B Q13224 3/20 0.31
▸ HPGD P15428 2/20 0.31
▸ GRIN1 Q05586 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SDHB P21912 1/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ OPRL1 P41146 1/20 0.31
▸ DDR1 Q08345 1/20 0.30
▸ CNR2 P34972 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ S1PR1 P21453 1/20 0.30

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
SCHEMBL20393622 0.86 PTGS2 (0.44) PTGS2KCNH2HPGDLMNAHTT
SCHEMBL20393763 0.85 PTGS2 (0.34) PTGS2SDHBDDR1S1PR1
SCHEMBL20393762 0.85 — —
SCHEMBL20393635 0.84 SDHB (0.46) PTGS2PTGS1HPGDKDM4EGAA
SCHEMBL20393710 0.84 PTGS2 (0.42) PTGS2PTGS1KCNH2
SCHEMBL20379045 0.83 NPC1 (0.38) PTGS2PTGS1KCNH2GRIN2BHPGD
SCHEMBL30194787 0.83 NPC1 (0.38) PTGS2PTGS1KCNH2GRIN2BHPGD
SCHEMBL20393870 0.83 KCNH2 (0.34) KCNH2KDM4EPOLBMAPTLMNA
SCHEMBL21715798 0.83 LMNA (0.37) PTGS2KCNH2HPGDGAALMNA
SCHEMBL20393624 0.83 KCNH2 (0.31) KCNH2HPGDLMNAHTTCNR2

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 3487/4885PTGS1 3552/4885KCNH2 400/4885
US-20200045976-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, CBR3, CBR1 PTGS2 3487/4885PTGS1 3552/4885KCNH2 400/4885

“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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