SCHEMBL9908205

SCHEMBL9908205

COS(=O)(=O)CCCc1c[nH]c(C(=O)OCc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
MMP2 P08253 5/20 0.41
MMP12 P39900 5/20 0.41
MMP9 P14780 4/20 0.41
MMP1 P03956 4/20 0.41
ALDH1A1 P00352 6/20 0.41
TDP1 Q9NUW8 4/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL20016727 0.77 MMP2 (0.48) KMT2AMEN1GAAMMP2MMP12
SCHEMBL9908188 0.77 TDP1 (0.50) KMT2AMEN1MMP2MMP12MMP9
SCHEMBL20016726 0.76 MMP2 (0.52) KMT2AMMP2MMP12MMP9MMP1
SCHEMBL1149670 0.75 GABRA1 (0.50) KMT2AMEN1GAAMMP2MMP12
SCHEMBL8540180 0.75 MMP2 (0.51) KMT2AMMP2MMP12MMP9MMP1
SCHEMBL9908206 0.75 MMP2 (0.39) KMT2AMEN1GAAMMP2MMP12
SCHEMBL812870 0.74 CA2 (0.51) KMT2AMEN1ALDH1A1SLC6A3MAPK1
SCHEMBL20897226 0.72 GABRA1 (0.55) KMT2AMEN1GAAALDH1A1TDP1
SCHEMBL1149734 0.72 ALDH1A1 (0.63) KMT2AMEN1GAAMMP2ALDH1A1
SCHEMBL20286056 0.72 MMP2 (0.48) KMT2AMEN1GAAMMP2MMP12

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-8197759-B2 Bodipy fluorophore dyes useful in the labeling and identification of proteins; highly soluble MONTANA STATE UNIVERSITY (US) 2012-06-12 US disclosed
US-8197758-B2 Bodipy fluorophore dyes useful in the labeling and identification of proteins; highly soluble MONTANA STATE UNIVERSITY (US) 2012-06-12 US disclosed
US-7833799-B2 Zwitterionic dyes for labeling in proteomic and other biological analyses MONTANA STATE UNIVERSITY (US) 2010-11-16 US disclosed
US-20100203645-A1 NOVEL ZWITTERIONIC DYES FOR LABELING IN PROTEOMIC AND OTHER BIOLOGICAL ANAYLSES NATIONAL SCIENCE FOUNDATION 2010-08-12 US disclosed
US-20100036133-A1 NOVEL ZWITTERIONIC DYES FOR LABELING IN PROTEOMIC AND OTHER BIOLOGICAL ANALYSES MONTANA STATE UNIVERSITY (US) 2010-02-11 US disclosed
US-7582260-B2 Zwitterionic dyes for labeling in proteomic and other biological analyses MONTANA STATE UNIVERSITY (US) 2009-09-01 US disclosed
US-20070259333-A1 NOVEL ZWITTERIONIC DYES FOR LABELING IN PROTEOMIC AND OTHER BIOLOGICAL ANALYSES MONTANA STATE UNIVERSITY (US) 2007-11-08 US disclosed
US-20070259333-A1 NOVEL ZWITTERIONIC DYES FOR LABELING IN PROTEOMIC AND OTHER BIOLOGICAL ANALYSES MONTANA STATE UNIVERSITY (US) 2007-11-08 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 (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-20100203645-A1 NOVEL ZWITTERIONIC DYES FOR LABELING IN PROTEOMIC AND OTHER BIOLOGICAL ANAYLSES ACP1, ANXA5, CHAMP1 KMT2A 2492/4885MEN1 2505/4885GAA 1426/4885
US-20100036133-A1 NOVEL ZWITTERIONIC DYES FOR LABELING IN PROTEOMIC AND OTHER BIOLOGICAL ANALYSES CHAMP1, ANXA5, ANXA3 KMT2A 2653/4885MEN1 2009/4885GAA 3695/4885

“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.