SCHEMBL24017341

SCHEMBL24017341

C[C@H](NC(=O)c1cc(Br)cc(OC(F)(F)F)c1)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.46
CA9 Q16790 2/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
HDAC8 Q9BY41 1/20 0.41
DDR1 Q08345 4/20 0.40
HPGDS O60760 2/20 0.40
FPR2 P25090 1/20 0.40
SCN9A Q15858 1/20 0.40
NOTUM Q6P988 1/20 0.39
GPR139 Q6DWJ6 1/20 0.37
CA12 O43570 1/20 0.37
HTR2C P28335 1/20 0.36
EPHX1 P07099 1/20 0.36
WDR5 P61964 2/20 0.36
GPBAR1 Q8TDU6 1/20 0.35
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL26616639 1.00 CA1 (0.46) CA1CA9CA2CA7HDAC8
SCHEMBL30293929 1.00 CA1 (0.46) CA1CA9CA2CA7HDAC8
SCHEMBL26616637 0.82 CA1 (0.46) CA1CA9CA2HDAC8HPGDS
SCHEMBL26616638 0.82 CA1 (0.46) CA1CA9CA2HDAC8HPGDS
SCHEMBL29283398 0.81 PDE2A (0.38) HDAC8HPGDSFPR2SCN9AGPR139
SCHEMBL24148488 0.79 CA1 (0.52) CA1CA9CA2CA7HDAC8
SCHEMBL23224178 0.77 CA1 (0.46) CA1CA9CA2CA7DDR1
SCHEMBL24147972 0.77 DDR1 (0.51) CA1CA9CA2CA7DDR1
SCHEMBL26473857 0.76 NOTUM (0.42) CA1CA9CA2CA7HDAC8
SCHEMBL31401414 0.76 NOTUM (0.64) CA1CA9CA2CA7DDR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12612386-B2 Heteroaryl-triazole compounds as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2026-04-28 US disclosed
EP-4146643-B1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AG (DE) 2024-05-29 EP disclosed
US-20230348432-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-11-02 US disclosed
US-20230348432-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-11-02 US disclosed
US-20230348432-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-11-02 US disclosed
CN-115996639-A Novel heteroaryl-triazole compounds as pesticides 拜耳公司 2023-04-21 CN disclosed
WO-2021224323-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2021-11-11 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-20230348432-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES CYP4F3, CYP4X1, GLRX3 CA1 4440/4885CA9 4732/4885CA2 3769/4885
US-12612386-B2 Heteroaryl-triazole compounds as pesticides CBR3, CYCS, HCN1 CA1 823/4885CA9 3202/4885CA2 552/4885

“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.