SCHEMBL25868545

SCHEMBL25868545

CCc1nc(C(F)(F)F)cc2nc(-c3nc(-n4ncn(-c5ccc(O)cc5)c4=O)ccc3S(=O)(=O)CC)n(C)c12

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.31
▸ ESR1 P03372 1/20 0.30
▸ ESR2 Q92731 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
SCHEMBL22280386 0.92 DDR1 (0.34) PTGS2
SCHEMBL22280578 0.85 DDR1 (0.35) PTGS2
SCHEMBL22280677 0.83 DDR1 (0.34) PTGS2
SCHEMBL20455824 0.82 DDR1 (0.34) PTGS2
SCHEMBL22280780 0.81 DDR1 (0.33) PTGS2
SCHEMBL22280580 0.78 DDR1 (0.36) PTGS2
SCHEMBL22349808 0.74 DDR1 (0.39) —
SCHEMBL31090444 0.71 DDR1 (0.35) —
SCHEMBL21805954 0.71 HSD17B10 (0.34) —
SCHEMBL23956883 0.70 DDR1 (0.35) PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212163-A1 2-(HET)ARYL-SUBSTITUTED CONDENSED HETEROCYCLIC DERIVATIVES AS PEST CONTROL AGENTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2023-07-06 — — US disclosed
US-20230212163-A1 2-(HET)ARYL-SUBSTITUTED CONDENSED HETEROCYCLIC DERIVATIVES AS PEST CONTROL AGENTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2023-07-06 — — 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-20230212163-A1 2-(HET)ARYL-SUBSTITUTED CONDENSED HETEROCYCLIC DERIVATIVES AS PEST CONTROL AGENTS EPHX2, CYP8B1, CYP4X1 PTGS2 98/4885ESR1 1608/4885ESR2 1398/4885

“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