SCHEMBL1120103

SCHEMBL1120103

C#CC(NC(=O)O)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 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
SCHEMBL25372952 1.00 CYP2D6 (0.32) CYP2D6CYP2C19
SCHEMBL16847599 0.80 ALDH1A1 (0.35)
SCHEMBL19859578 0.78 CTSC (0.39) CYP2D6CYP2C19
SCHEMBL30171020 0.77
SCHEMBL9109510 0.77
SCHEMBL15969357 0.77
SCHEMBL13616171 0.73 CA2 (0.36)
SCHEMBL5741604 0.71
SCHEMBL24568584 0.70 DPP4 (0.30)
SCHEMBL25360604 0.69 ALDH1A1 (0.39) CYP2D6CYP2C19

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-20230321123-A1 INHIBITORS OF PSEUDOMONAS AERUGINOSA VIRULENCE FACTOR LasB HELMHOLTZ-ZENTRUM FUR INFEKTIONSFORSCHUNG GMBH (DE) 2023-10-12 US disclosed
EP-4204397-A1 INHIBITORS OF PSEUDOMONAS AERUGINOSA VIRULENCE FACTOR LASB Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2023-07-05 EP disclosed
EP-2280707-A1 ALPHA2B AND ALPHA2C AGONISTS Allergan, Inc. (US) 2011-02-09 EP disclosed
WO-2009137340-A1 ALPHA2B AND ALPHA2C AGONISTS ALLERGAN, INC. (US) 2009-11-12 WO 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-20230321123-A1 INHIBITORS OF PSEUDOMONAS AERUGINOSA VIRULENCE FACTOR LasB SERPINB1, LTA, TFPI CYP2D6 4233/4885CYP2C19 3769/4885

“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.