SCHEMBL29489481

SCHEMBL29489481

CCO[C@@H]1C[C@H](C(=O)Nc2cc(C(CCC3CC3)(N[S@+]([O-])C(C)(C)C)c3ccncc3)ccc2F)N(C(=O)OCc2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 16/20 0.43
▸ TSHR P16473 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ GFER P55789 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL21726717 1.00 KLKB1 (0.43) KLKB1TSHRL3MBTL1POLBGFER
SCHEMBL20584317 0.91 KLKB1 (0.45) KLKB1
SCHEMBL29489461 0.89 KLKB1 (0.48) KLKB1TSHRL3MBTL1POLBGFER
SCHEMBL21726632 0.89 KLKB1 (0.48) KLKB1TSHRL3MBTL1POLBGFER
SCHEMBL31456851 0.89 KLKB1 (0.43) KLKB1TSHRL3MBTL1POLBGFER
SCHEMBL28721208 0.89 KLKB1 (0.45) KLKB1TSHRL3MBTL1POLBGFER
SCHEMBL29581256 0.89 KLKB1 (0.45) KLKB1TSHRL3MBTL1POLBGFER
SCHEMBL21726705 0.87 KLKB1 (0.56) KLKB1TSHRL3MBTL1POLB
SCHEMBL29581774 0.87 KLKB1 (0.56) KLKB1TSHRL3MBTL1POLB
SCHEMBL20584643 0.86 KLKB1 (0.44) KLKB1POLB

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
CN-114591212-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2025-01-28 — — CN disclosed
EP-4019022-B1 HUMAN PLASMA KALLIKREIN INHIBITORS BIOCRYST PHARM INC (US) 2024-01-31 — — EP disclosed
US-11807605-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-11-07 — — US disclosed
EP-4019022-A1 HUMAN PLASMA KALLIKREIN INHIBITORS BioCryst Pharmaceuticals, Inc. (US) 2022-06-29 — — EP 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 (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-11807605-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885TSHR 3809/4885L3MBTL1 3331/4885
US-20220098151-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 KLKB1 1/4885TSHR 3809/4885L3MBTL1 3331/4885

“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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