SCHEMBL23353746

SCHEMBL23353746

CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)cnc3n2C)nc(-c2ccc(C3CC3)nc2)n1C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 4/20 0.36
▸ POLB P06746 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ SYK P43405 3/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ PIK3CD O00329 2/20 0.32
▸ PIK3R1 P27986 1/20 0.32
▸ PTGES O14684 1/20 0.31
▸ RORC P51449 3/20 0.31
▸ NR1H2 P55055 1/20 0.31
▸ ALOX5AP P20292 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
SCHEMBL23353832 0.94 POLB (0.39) DGAT1POLBGPR119PTGS1PTGS2
SCHEMBL25885750 0.88 PTGS1 (0.33) DGAT1POLBGPR119PTGS1PTGS2
SCHEMBL21610489 0.84 DGAT1 (0.34) DGAT1POLBGPR119SYKPIK3CD
SCHEMBL23353561 0.84 POLB (0.40) DGAT1POLBPTGS1PTGS2KCNH2
SCHEMBL23353748 0.82 CCNE1 (0.35) POLB
SCHEMBL25885910 0.82 POLB (0.32) POLB
SCHEMBL23353737 0.82 POLB (0.32) POLB
SCHEMBL23353758 0.82 POLB (0.32) POLBSYK
SCHEMBL25885639 0.80 POLB (0.33) POLBRORCNR1H2
SCHEMBL23353551 0.80 ALDH1A1 (0.34) POLBKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210139480-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2021-05-13 — — US 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 (1 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-20210139480-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, CBR3, CBR1 DGAT1 4201/4885POLB 4632/4885GPR119 1113/4885

“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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