SCHEMBL1837744

SCHEMBL1837744

O=C(OCc1cccc(=O)[nH]1)c1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 16/20 0.58
MMP12 P39900 15/20 0.58
MMP2 P08253 13/20 0.58
MMP9 P14780 13/20 0.58
MAPT P10636 1/20 0.44
LMNA P02545 1/20 0.42

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
SCHEMBL1839298 0.85 MMP1 (0.44) MMP1MMP12MMP2MMP9
SCHEMBL13446064 0.85 MMP2 (0.58) MMP1MMP12MMP2MMP9MAPT
SCHEMBL12279181 0.85 MMP1 (0.44) MMP1MMP12MMP2MMP9
SCHEMBL1838232 0.82 KMT2A (0.47) MMP1MMP12MMP2MMP9MAPT
SCHEMBL7092540 0.78 MMP1 (0.69) MMP1MMP12MMP2MMP9
SCHEMBL1836245 0.76 MMP1 (0.43) MMP1MMP12MMP2MMP9MAPT
SCHEMBL663552 0.71 KMT2A (0.76) MMP1MMP12MMP2MMP9MAPT
SCHEMBL1840011 0.70 KDM4E (0.44) MMP1MMP12MMP2MMP9MAPT
SCHEMBL28939032 0.69 LMNA (0.51) MAPTLMNA
SCHEMBL9127865 0.69 LMNA (0.55) MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8795630-B2 Butyrylcholinesterase ligands as diagnostic tools and treatment for diseases of the nervous system TREVENTIS CORPORATION (US) 2014-08-05 US disclosed
EP-2320891-B1 BUTYRYLCHOLINESTERASE LIGANDS AS DIAGNOSTIC TOOLS AND TREATMENT FOR DESEASES OF THE NERVOUS SYSTEM TREVENTIS CORP (US) 2013-10-09 EP disclosed
US-20110212026-A1 BUTYRYLCHOLINESTERASE LIGANDS AS DIAGNOSTIC TOOLS AND TREATMENT FOR DESEASES OF THE NERVOUS SYSTEM TREVENTIS CORPORATION 2011-09-01 US disclosed
EP-2320891-A1 BUTYRYLCHOLINESTERASE LIGANDS AS DIAGNOSTIC TOOLS AND TREATMENT FOR DESEASES OF THE NERVOUS SYSTEM Treventis Corporation (US) 2011-05-18 EP disclosed
WO-2010025368-A1 BUTYRYLCHOLINESTERASE LIGANDS AS DIAGNOSTIC TOOLS AND TREATMENT FOR DESEASES OF THE NERVOUS SYSTEM TREVENTIS CORPORATION (US) 2010-03-04 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-20110212026-A1 BUTYRYLCHOLINESTERASE LIGANDS AS DIAGNOSTIC TOOLS AND TREATMENT FOR DESEASES OF THE NERVOUS SYSTEM BCHE, ACHE, CERS2 MMP1 445/4885MMP12 2527/4885MMP2 984/4885

“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.