SCHEMBL20584557

SCHEMBL20584557

CO[C@@H]1C[C@H](C(=O)Nc2cc([C@](CCC3CC3)(c3ccnc(C)c3)N([SH]=O)C(C)(C)C)ccc2F)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 11/20 0.44
▸ CYP1A2 P05177 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ F10 P00742 2/20 0.35
▸ UCHL1 P09936 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ KDR P35968 3/20 0.32
▸ BRAF P15056 2/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ BCR P11274 1/20 0.32

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
SCHEMBL20584702 0.93 KLKB1 (0.46) KLKB1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL20584372 0.90 KLKB1 (0.45) KLKB1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL22685022 0.88 KLKB1 (0.56) KLKB1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL31456735 0.84 KLKB1 (0.44) KLKB1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL20446635 0.84 KLKB1 (0.44) KLKB1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL21726682 0.84 KLKB1 (0.44) KLKB1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL22654214 0.80 KLKB1 (0.52) KLKB1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL20584623 0.79 KLKB1 (0.63) KLKB1F10
SCHEMBL24012260 0.78 KLKB1 (0.56) KLKB1UCHL1
SCHEMBL20584654 0.78 KLKB1 (0.44) 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 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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