SCHEMBL1838232

SCHEMBL1838232

N#Cc1ccc(C(=O)OCc2cccc(=O)[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
GSK3B P49841 1/20 0.42
MMP1 P03956 7/20 0.42
MMP2 P08253 7/20 0.42
MMP9 P14780 7/20 0.42
MMP12 P39900 7/20 0.42
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL13446064 0.82 MMP2 (0.58) KMT2ATSHRTDP1L3MBTL1MMP1
SCHEMBL12279181 0.82 MMP1 (0.44) MMP1MMP2MMP9MMP12
SCHEMBL1837744 0.82 MMP1 (0.58) MMP1MMP2MMP9MMP12MAPT
SCHEMBL17769820 0.74 KMT2A (0.69) KMT2ATSHRTDP1MEN1MAPT
SCHEMBL1836245 0.73 MMP1 (0.43) KMT2ATSHRTDP1MMP1MMP2
SCHEMBL10973501 0.72 ADRB2 (0.55) KMT2ATSHRTDP1L3MBTL1ADRB2
SCHEMBL1838494 0.72 TSHR (0.44) KMT2ATSHRTDP1L3MBTL1ADRB2
SCHEMBL23681041 0.71 ADRB2 (0.54) KMT2ATSHRTDP1L3MBTL1ADRB2
SCHEMBL13885770 0.71 KMT2A (0.74) KMT2ATSHRTDP1L3MBTL1ADRB2
SCHEMBL24112443 0.70 TDP1 (0.65) KMT2ATSHRTDP1L3MBTL1ADRB2

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 6 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
CN-102164598-A Butyrylcholinesterase ligands as diagnostic tools and therapeutics for neurological diseases TREVENTIS CORP 2011-08-24 CN 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 KMT2A 1725/4885TSHR 979/4885TDP1 1906/4885

“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.