SCHEMBL4159026

SCHEMBL4159026

CCS(=O)(=O)c1ccccc1-c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.54
ALOX5AP P20292 4/20 0.50
FEN1 P39748 4/20 0.50
PTGS1 P23219 1/20 0.50
HSD11B1 P28845 1/20 0.49
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
FABP1 P07148 1/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
STAT3 P40763 1/20 0.40
DRD1 P21728 2/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 0.40
MMP14 P50281 1/20 0.40
HTR2C P28335 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
SCHEMBL2704655 0.85 PSIP1 (0.50) PTGS2ALOX5APFEN1SMN1; SMN2PSIP1
SCHEMBL2449150 0.83 PTGS2 (0.50) PTGS2ALOX5APFEN1PTGS1SMN1; SMN2
SCHEMBL6297018 0.82 ALOX5AP (0.50) PTGS2ALOX5APFEN1PSIP1
SCHEMBL6904881 0.81 PTGS2 (0.68) PTGS2ALOX5APFEN1PTGS1HSD11B1
SCHEMBL9797523 0.81 HSD11B1 (0.57) PTGS2ALOX5APFEN1PTGS1HSD11B1
SCHEMBL2008147 0.78 PTGS2 (0.53) PTGS2PTGS1HSD11B1SLC6A4SLC6A3
SCHEMBL778751 0.78 PTGS2 (0.53) PTGS2ALOX5APFEN1PTGS1HSD11B1
SCHEMBL2568289 0.78 PTGS2 (0.68) PTGS2ALOX5APFEN1PTGS1HSD11B1
SCHEMBL6236983 0.78 ALOX5AP (0.62) ALOX5APFEN1
SCHEMBL15366568 0.77 FEN1 (0.54) PTGS2ALOX5APFEN1PTGS1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227603-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2009-09-10 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 (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-20090227603-A1 LEUKOTRIENE B4 INHIBITORS LTB4R2, LTB4R, LTC4S PTGS2 40/4885ALOX5AP 17/4885FEN1 4636/4885

“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.