SCHEMBL21726712

SCHEMBL21726712

CC(C)(C)[S@@+]([O-])NC(CCC1CC1)(c1cccc(C#N)c1)c1ccc(F)c(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 15/20 0.58
▸ POLB P06746 2/20 0.43
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ APOBEC3A P31941 1/20 0.34
▸ APOBEC3G Q9HC16 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
SCHEMBL29489476 1.00 KLKB1 (0.58) KLKB1POLBCYP1A2CYP3A4CYP2C19
SCHEMBL21726693 0.93 KLKB1 (0.58) KLKB1POLBGFERALDH1A1
SCHEMBL29489468 0.93 KLKB1 (0.58) KLKB1POLBGFERALDH1A1
SCHEMBL31456803 0.91 KLKB1 (0.62) KLKB1POLBCYP1A2CYP3A4CYP2C19
SCHEMBL20584469 0.91 KLKB1 (0.62) KLKB1POLBCYP1A2CYP3A4CYP2C19
SCHEMBL20446619 0.91 KLKB1 (0.62) KLKB1POLBCYP1A2CYP3A4CYP2C19
SCHEMBL31456844 0.91 KLKB1 (0.64) KLKB1POLBCYP1A2CYP3A4CYP2C19
SCHEMBL21726666 0.90 KLKB1 (0.49) KLKB1GFERALDH1A1
SCHEMBL21726701 0.90 KLKB1 (0.49) KLKB1GFERALDH1A1
SCHEMBL31456857 0.90 KLKB1 (0.49) KLKB1GFERALDH1A1

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 4045/4885CYP1A2 1483/4885
US-10562850-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885POLB 4045/4885CYP1A2 1483/4885
US-11807605-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885POLB 4045/4885CYP1A2 1483/4885
US-20200361867-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 KLKB1 1/4885POLB 4045/4885CYP1A2 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.

Send feedback