SCHEMBL9908197

SCHEMBL9908197

CC1=CC(CCC(=O)O)=[N+]2C1=Cc1c(CCSOOO)cc(-c3ccccc3)n1[B-]2(F)F

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.31
PTGER4 P35408 2/20 0.31
PTGER3 P43115 2/20 0.31
PTGER2 P43116 2/20 0.31
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
HSD17B10 Q99714 2/20 0.30
MEN1 O00255 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
RCE1 Q9Y256 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL9908154 0.83 KDM4E (0.30) KDM4EALDH1A1HSD17B10ALOX15
SCHEMBL9908167 0.71 PRSS1 (0.31)
SCHEMBL13103021 0.71 MTNR1A (0.31)
SCHEMBL9908189 0.70
SCHEMBL9908200 0.62 FLT1 (0.34) PTGER4HSD17B10
SCHEMBL16232682 0.57 GLA (0.35) KDM4EALDH1A1HSD17B10GLAGAA
SCHEMBL14849544 0.56 TTPA (0.49)
SCHEMBL9908203 0.55 KEAP1 (0.34) HSD17B10
SCHEMBL7414900 0.53 PTGER1 (0.50) PTGER1PTGER4PTGER3PTGER2ALDH1A1
SCHEMBL13694508 0.53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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

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 PTGER1 4094/4885PTGER4 4164/4885PTGER3 3423/4885
US-20100036133-A1 NOVEL ZWITTERIONIC DYES FOR LABELING IN PROTEOMIC AND OTHER BIOLOGICAL ANALYSES CHAMP1, ANXA5, ANXA3 PTGER1 4007/4885PTGER4 3933/4885PTGER3 3663/4885

“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.