SCHEMBL21726632

SCHEMBL21726632

CO[C@@H]1C[C@H](C(=O)Nc2cc(C(CCC3CC3)(N[S@+]([O-])C(C)(C)C)c3ccccc3)ccc2F)N(C(=O)OCc2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 10/20 0.48
▸ POLB P06746 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.36
▸ F10 P00742 2/20 0.36
▸ TSHR P16473 1/20 0.35
▸ L3MBTL1 Q9Y468 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
SCHEMBL29489461 1.00 KLKB1 (0.48) KLKB1POLBALDH1A1TP53MEN1
SCHEMBL29489468 0.93 KLKB1 (0.58) KLKB1POLBALDH1A1TP53MEN1
SCHEMBL21726693 0.93 KLKB1 (0.58) KLKB1POLBALDH1A1TP53MEN1
SCHEMBL29489455 0.92 KLKB1 (0.43) KLKB1POLBALDH1A1TP53MEN1
SCHEMBL31456778 0.92 KLKB1 (0.43) KLKB1POLBALDH1A1TP53MEN1
SCHEMBL21726624 0.92 KLKB1 (0.43) KLKB1POLBALDH1A1TP53MEN1
SCHEMBL20584470 0.91 KLKB1 (0.51) KLKB1F10
SCHEMBL21726717 0.89 KLKB1 (0.43) KLKB1POLBALDH1A1GFERTSHR
SCHEMBL29489481 0.89 KLKB1 (0.43) KLKB1POLBALDH1A1GFERTSHR
SCHEMBL21726712 0.86 KLKB1 (0.58) KLKB1POLBALDH1A1GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807605-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-11-07 — — US disclosed
US-11066360-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2021-07-20 — — US disclosed
US-20200361867-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2020-11-19 — — US disclosed
US-10562850-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2020-02-18 — — 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 (4 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-11066360-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885POLB 4045/4885ALDH1A1 1419/4885
US-10562850-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885POLB 4045/4885ALDH1A1 1419/4885
US-11807605-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885POLB 4045/4885ALDH1A1 1419/4885
US-20200361867-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 KLKB1 1/4885POLB 4045/4885ALDH1A1 1419/4885

“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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