SCHEMBL9908203

SCHEMBL9908203

O=C(O)CCc1cc(CCSOOO)c[nH]1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.34
FFAR1 O14842 4/20 0.33
FFAR4 Q5NUL3 2/20 0.32
DAO P14920 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP2C19 P33261 2/20 0.30
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30
GPR17 Q13304 1/20 0.30
HPGD P15428 1/20 0.30
PTPRB P23467 1/20 0.30
CDC25A P30304 1/20 0.30
CDC25B P30305 1/20 0.30
PTEN P60484 1/20 0.30
PTPMT1 Q8WUK0 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
SCHEMBL13103035 0.72 ALDH1A1 (0.45) FFAR1FFAR4HSD17B10THRATHRB
SCHEMBL13103053 0.70 S1PR1 (0.46) FFAR1FFAR4THRATHRBCDC25A
SCHEMBL3417110 0.69 NPSR1 (0.47) KEAP1FFAR1FFAR4DAOCYP1A2
SCHEMBL9908192 0.69 TBXAS1 (0.34) KEAP1FFAR1CYP1A2CYP2C9HSD17B10
SCHEMBL13694508 0.67
SCHEMBL3415097 0.63 NPSR1 (0.48) KEAP1FFAR1FFAR4
SCHEMBL3420956 0.61 CYP4F2 (0.46) CYP1A2CYP2C9HSD17B10CYP2C19
SCHEMBL1004268 0.60 ALDH1A1 (0.50) KEAP1FFAR1FFAR4DAO
SCHEMBL5368133 0.60 KEAP1 (0.42) KEAP1FFAR1FFAR4DAOCYP2C19
SCHEMBL3411511 0.59 CYP4F2 (0.44) CYP1A2CYP2C9HSD17B10CYP2C19HPGD

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 KEAP1 4498/4885FFAR1 4100/4885FFAR4 4381/4885
US-20100036133-A1 NOVEL ZWITTERIONIC DYES FOR LABELING IN PROTEOMIC AND OTHER BIOLOGICAL ANALYSES CHAMP1, ANXA5, ANXA3 KEAP1 4291/4885FFAR1 4488/4885FFAR4 4534/4885

“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.