SCHEMBL20393635

SCHEMBL20393635

CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)nc(-c2cccs2)n1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SDHB P21912 5/20 0.46
▸ PTGS2 P35354 2/20 0.44
▸ ALDH1A1 P00352 10/20 0.43
▸ KDM4E B2RXH2 9/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ PTGS1 P23219 1/20 0.42
▸ HPGD P15428 5/20 0.39
▸ HSD17B10 Q99714 4/20 0.39
▸ HTT P42858 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ S1PR4 O95977 1/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ PDGFRB P09619 1/20 0.37

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
SCHEMBL29599300 0.87 KDM4E (0.56) SDHBPTGS2ALDH1A1KDM4ENPC1
SCHEMBL20393870 0.86 KCNH2 (0.34) SDHBALDH1A1KDM4ENPC1SMN1; SMN2
SCHEMBL20393622 0.85 PTGS2 (0.44) SDHBPTGS2HPGDHTTLMNA
SCHEMBL20393708 0.84 PTGS2 (0.40) PTGS2NPC1RAB9ASMN1; SMN2PTGS1
SCHEMBL20393763 0.84 PTGS2 (0.34) SDHBPTGS2S1PR1
SCHEMBL20393626 0.84 PTGS2 (0.35) SDHBPTGS2KDM4ENPC1RAB9A
SCHEMBL20393848 0.83 MEN1 (0.39) PTGS2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL20393637 0.83 PTGS2 (0.44) SDHBPTGS2NPC1RAB9APTGS1
SCHEMBL20393874 0.83 LMNA (0.35) NPC1RAB9ASMN1; SMN2HPGDHTT
SCHEMBL20393847 0.82 PTGS2 (0.39) PTGS2KDM4ENPC1RAB9ALMNA

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 SDHB 543/4885PTGS2 3487/4885ALDH1A1 724/4885
US-20200045976-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, CBR3, CBR1 SDHB 543/4885PTGS2 3487/4885ALDH1A1 724/4885

“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.

Send feedback