SCHEMBL24174803

SCHEMBL24174803

CCS(=O)(=O)c1c(-c2nc3cc4c(cc3n2C)OC(F)(F)C(F)(F)O4)nc(-c2ccc(C3CC3)nc2)n1C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 3/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ SYK P43405 3/20 0.33
▸ RORC P51449 1/20 0.31
▸ IDO1 P14902 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ CYP11B1 P15538 2/20 0.30
▸ CYP11B2 P19099 2/20 0.30
▸ ALOX5AP P20292 1/20 0.30
▸ CNR2 P34972 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
SCHEMBL30404393 1.00 DGAT1 (0.34) DGAT1PTGS1PTGS2SYKRORC
SCHEMBL24174804 0.84 DGAT1 (0.32) DGAT1SYK
SCHEMBL24175628 0.83 CA1 (0.37) PTGS1PTGS2RORCCA12CA1
SCHEMBL25987341 0.82 CA12 (0.33) CA12CA1CA2CA9CNR2
SCHEMBL24174793 0.82 PTGS2 (0.37) PTGS1PTGS2CA12CA1CA2
SCHEMBL24170315 0.82 CA1 (0.36) CA12CA1CA2CA9
SCHEMBL24174597 0.82 RORC (0.36) RORCCYP11B1CYP11B2CNR2
SCHEMBL24175247 0.82 HDAC1 (0.36) PTGS2CA12CA1CA2CA9
SCHEMBL24174596 0.82 CA1 (0.35) CA12CA1CA2CA9CNR2
SCHEMBL24174586 0.82 NPC1 (0.31) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230247994-A1 HETEROCYCLENE DERIVATIVES AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2023-08-10 — — US disclosed
US-20230247994-A1 HETEROCYCLENE DERIVATIVES AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2023-08-10 — — US disclosed
US-20230247994-A1 HETEROCYCLENE DERIVATIVES AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2023-08-10 — — US disclosed
WO-2022002818-A1 HETEROCYCLENE DERIVATIVES AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2022-01-06 — — 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 (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-20230247994-A1 HETEROCYCLENE DERIVATIVES AS PEST CONTROL AGENTS CHRM1, DDT, H1-0 DGAT1 4438/4885PTGS1 4069/4885PTGS2 4123/4885

“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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