SCHEMBL20584702

SCHEMBL20584702

CO[C@@H]1C[C@H](C(=O)Nc2cc([C@](CCC3CC3)(c3ccncc3)N([SH]=O)C(C)(C)C)ccc2F)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 16/20 0.46
▸ CYP1A2 P05177 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ F10 P00742 2/20 0.36
▸ 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
SCHEMBL20584557 0.93 KLKB1 (0.44) KLKB1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL20584372 0.90 KLKB1 (0.45) KLKB1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL20584654 0.85 KLKB1 (0.44) KLKB1
SCHEMBL20584362 0.83 KLKB1 (0.52) KLKB1F10
SCHEMBL20446608 0.82 KLKB1 (0.46) KLKB1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL28724191 0.82 KLKB1 (0.46) KLKB1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL29581385 0.82 KLKB1 (0.46) KLKB1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL20584547 0.82 KLKB1 (0.46) KLKB1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL31456783 0.82 KLKB1 (0.46) KLKB1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL20584364 0.82 KLKB1 (0.46) KLKB1F10

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-20180362458-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2018-12-20 — — 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-20180362458-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 KLKB1 1/4885CYP1A2 1483/4885POLB 4045/4885

“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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