SCHEMBL4287233

SCHEMBL4287233

COc1ccc(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)C(F)(F)F)C(C)C)C(C)C)cc1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ELANE P08246 19/20 0.65
CTSG P08311 1/20 0.64
CMA1 P23946 1/20 0.51

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
SCHEMBL8429826 1.00 ELANE (0.65) ELANECTSGCMA1
SCHEMBL7363457 1.00 ELANE (0.65) ELANECTSGCMA1
SCHEMBL7363455 1.00 ELANE (0.65) ELANECTSGCMA1
SCHEMBL18880036 0.90 ELANE (0.68) ELANECTSGCMA1
SCHEMBL7310675 0.90 ELANE (0.80) ELANECTSGCMA1
SCHEMBL17378380 0.90 ELANE (0.68) ELANECTSGCMA1
SCHEMBL13924699 0.89 ELANE (0.56) ELANECTSG
SCHEMBL18880040 0.88 ELANE (0.66) ELANECTSGCMA1
SCHEMBL22686717 0.88 ELANE (0.69) ELANECTSGCMA1
SCHEMBL20943172 0.88 ELANE (0.69) ELANECTSGCMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919493-B1 USE OF SPECIFIC TRIFLUOROMETHYL KETONES FOR PREVENTING AND TREATING PANCREATITIS LERCH MARKUS M (DE) 2014-07-30 EP disclosed
US-20090042969-A1 Use of Specific Trifluoromethyl Ketones for Preventing and Treating Pancreatitis ERNST-MORITZ-ARNDT-UNIVERSITAT GREIFSWALD (DE) 2009-02-12 US disclosed
US-20090042969-A1 Use of Specific Trifluoromethyl Ketones for Preventing and Treating Pancreatitis ERNST-MORITZ-ARNDT-UNIVERSITAT GREIFSWALD (DE) 2009-02-12 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-20090042969-A1 Use of Specific Trifluoromethyl Ketones for Preventing and Treating Pancreatitis PNLIP, AMY2A, FABP2 ELANE 19/4885CTSG 164/4885CMA1 183/4885

“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.