SCHEMBL21726714

SCHEMBL21726714

CO[C@@H]1C[C@H](C(=O)Nc2cc(C(CCC3CC3)(N[S@@+]([O-])C(C)(C)C)c3ccccn3)ccc2F)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 16/20 0.45
▸ F10 P00742 2/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ UCHL1 P09936 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
SCHEMBL22685920 1.00 KLKB1 (0.45) KLKB1F10CYP1A2POLBCYP3A4
SCHEMBL20446649 1.00 KLKB1 (0.45) KLKB1F10CYP1A2POLBCYP3A4
SCHEMBL29489465 1.00 KLKB1 (0.45) KLKB1F10CYP1A2POLBCYP3A4
SCHEMBL20584552 0.93 KLKB1 (0.46) KLKB1F10
SCHEMBL20584548 0.93 KLKB1 (0.46) KLKB1F10
SCHEMBL20584550 0.93 KLKB1 (0.46) KLKB1F10
SCHEMBL20446606 0.92 KLKB1 (0.45) KLKB1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL20584684 0.92 KLKB1 (0.45) KLKB1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL31456805 0.92 KLKB1 (0.45) KLKB1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL21726624 0.91 KLKB1 (0.43) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-10562850-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885F10 109/4885CYP1A2 1483/4885

“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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