SCHEMBL21266464

SCHEMBL21266464

CC(C#N)NC(=O)[C@@H](C)C(C)(C)C

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.69
CTSS P25774 5/20 0.38
CTSK P43235 4/20 0.37
CTSL P07711 2/20 0.33
CTSB P07858 1/20 0.32

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
SCHEMBL22992129 0.80 DPP4 (0.60) DPP4CTSSCTSKCTSL
SCHEMBL19736328 0.79 DPP4 (0.59) DPP4CTSSCTSKCTSL
SCHEMBL16015868 0.77 DPP4 (0.41) DPP4
SCHEMBL9963456 0.77 DPP4 (0.41) DPP4
SCHEMBL25583076 0.77 DPP4 (0.41) DPP4
SCHEMBL19135439 0.76 DPP4 (0.55) DPP4CTSSCTSKCTSL
SCHEMBL21638024 0.76 DPP4 (0.55) DPP4CTSSCTSK
SCHEMBL25967086 0.76 DPP4 (0.55) DPP4CTSSCTSK
SCHEMBL19882814 0.76 DPP4 (0.66) DPP4CTSSCTSKCTSL
SCHEMBL9963462 0.75 DPP4 (0.39) DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230157293-A1 NAPHTHALENE ISOXAZOLINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC CORPORATION 2023-05-25 US disclosed
US-20230157293-A1 NAPHTHALENE ISOXAZOLINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC CORPORATION 2023-05-25 US disclosed
US-11576382-B2 Naphthalene isoxazoline compounds for controlling invertebrate pests FMC CORPORATION (US) 2023-02-14 US disclosed
US-20210045388-A1 NAPHTHALENE ISOXAZOLINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC CORPORATION 2021-02-18 US disclosed
WO-2019156903-A1 NAPHTHALENE ISOXAZOLINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC CORPORATION (US) 2019-08-15 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 (3 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-20210045388-A1 NAPHTHALENE ISOXAZOLINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS RDX, RPS4X, CYP4X1 DPP4 3047/4885CTSS 4228/4885CTSK 3162/4885
US-20230157293-A1 NAPHTHALENE ISOXAZOLINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS RDX, RPS4X, CYP4X1 DPP4 3047/4885CTSS 4228/4885CTSK 3162/4885
US-11576382-B2 Naphthalene isoxazoline compounds for controlling invertebrate pests RDX, RPS4X, CYP4X1 DPP4 3047/4885CTSS 4228/4885CTSK 3162/4885

“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.