SCHEMBL29489482

SCHEMBL29489482

CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C(=O)Nc1cc(C(CCC2CC2)(N[S@+]([O-])C(C)(C)C)c2ccncc2)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 19/20 0.43
▸ LMNA P02545 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL20584479 1.00 KLKB1 (0.43) KLKB1LMNANPSR1
SCHEMBL20446630 1.00 KLKB1 (0.43) KLKB1LMNANPSR1
SCHEMBL24012199 0.92 KLKB1 (0.42) KLKB1LMNANPSR1
SCHEMBL20584250 0.92 KLKB1 (0.42) KLKB1LMNANPSR1
SCHEMBL31456825 0.92 KLKB1 (0.42) KLKB1LMNANPSR1
SCHEMBL20584309 0.91 KLKB1 (0.44) KLKB1
SCHEMBL29489470 0.91 KLKB1 (0.44) KLKB1
SCHEMBL24012306 0.91 KLKB1 (0.44) KLKB1
SCHEMBL20584301 0.90 KLKB1 (0.42) KLKB1
SCHEMBL24570651 0.90 KLKB1 (0.42) KLKB1

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
CN-114591212-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2025-01-28 — — CN disclosed
US-20220098151-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2022-03-31 — — 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-20220098151-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 KLKB1 1/4885LMNA 1001/4885NPSR1 1107/4885

“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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