SCHEMBL30992258

SCHEMBL30992258

CN(C(=O)[C@H](CC1CC1)NC(=O)OC(C)(C)C)[C@@H](CC1CC1)C(=O)N1C[C@@]2(C[C@H]1C(N)=O)Oc1ccc(F)cc1NC2=O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 1/20 0.34
▸ SCN9A Q15858 7/20 0.32
▸ CTSS P25774 3/20 0.31
▸ IDO1 P14902 1/20 0.31
▸ CTSK P43235 1/20 0.30
▸ RORC P51449 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
SCHEMBL27244928 0.91 CTSS (0.31) CTSS
SCHEMBL27244934 0.91 CTSS (0.31) CTSS
SCHEMBL27245182 0.90 — —
SCHEMBL27245188 0.90 — —
SCHEMBL30992275 0.89 — —
SCHEMBL30992262 0.86 CTSD (0.34) —
SCHEMBL30890631 0.85 AAK1 (0.32) AAK1CTSSCTSK
SCHEMBL30890705 0.85 AAK1 (0.32) AAK1CTSSCTSK
Hydrochloric Acid SCHEMBL27245041 0.85 — —
SCHEMBL27244864 0.85 AGTR2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199647-A1 ANTI-VIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-06-20 — — 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-20240199647-A1 ANTI-VIRAL COMPOUNDS EIF2AK2, ZC3HAV1, HAVCR2 AAK1 3988/4885SCN9A 1034/4885CTSS 649/4885

“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