SCHEMBL6293418

SCHEMBL6293418

COc1cc(N(C)C)c(OC)cc1[N+]#N.F[B-](F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 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
SCHEMBL11318218 0.93 APP (0.38) APP
Hydrochloric Acid SCHEMBL9619840 0.90 APP (0.36) APP
Hydrochloric Acid SCHEMBL9619839 0.88 APP (0.35) APP
SCHEMBL1261913 0.78 APP (0.35) APP
SCHEMBL3795554 0.75 LSS (0.40)
SCHEMBL10564377 0.72 CA12 (0.48)
SCHEMBL6297073 0.72 CA12 (0.48)
SCHEMBL11409076 0.72 CA12 (0.48)
Hydrochloric Acid SCHEMBL10952910 0.72 ALDH1A1 (0.39)
Hydrochloric Acid SCHEMBL10823280 0.70 GLA (0.31)

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6955921-B2 Trypsin substrate and diagnostic device, and method of using same BAYER CORPORATION (US) 2005-10-18 US disclosed
US-6770764-B2 DIAGNOSIS OF BACTERIA INFECTIONS BAYER CORPORATION 2004-08-03 US disclosed
US-20030125577-A1 Trypsin substrate and diagnostic device, and method of using same SIEMENS HEALTHCARE DIAGNOSTICS INC. 2003-07-03 US disclosed
US-20020004219-A1 Trypsin substrate and diganostic device, and method of using same SIEMENS HEALTHCARE DIAGNOSTICS INC. 2002-01-10 US disclosed
EP-1157984-A2 Trypsin substrate and diagnostic device, and method of using same Bayer Corporation (US) 2001-11-28 EP disclosed
US-4749648-A Agent for the determination of esterolytic and/or proteolytic enzymes BOEHRINGER MANNHEIM GMBH (DE) 1988-06-07 US disclosed
US-4551428-A COLORIMETRIC ANALYSIS USING DIAZONIUM COUPLERS BOEHRINGER MANNHEIM GMBH (DE) 1985-11-05 US disclosed
EP-0039880-A1 Agents for the detection of esterolytic and/or proteolytic enzymes; and phenoxy-amino acids and phenoxy-peptide esters suitable as substrates therefor, process for their production and their use in producing the agents Roche Diagnostics GmbH (DE) 1981-11-18 EP 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 (2 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-20020004219-A1 Trypsin substrate and diganostic device, and method of using same PRSS3, CTRL, PRSS2 APP 654/4885
US-20030125577-A1 Trypsin substrate and diagnostic device, and method of using same CTRL, PRSS3, SPINT2 APP 394/4885

“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.