SCHEMBL4090250

SCHEMBL4090250

FC(F)(F)c1ccc(NCCCCCCCCCCCBr)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 6/20 0.44
F2 P00734 2/20 0.44
PRSS2 P07478 2/20 0.44
PRSS3 P35030 2/20 0.44
TMPRSS6 Q8IU80 2/20 0.44
ST14 Q9Y5Y6 2/20 0.44
HDAC1 Q13547 1/20 0.44
PTPN1 P18031 1/20 0.42
GSK3B P49841 1/20 0.42
RHOC P08134 2/20 0.41
RHOA P61586 2/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
KIF11 P52732 1/20 0.40
EPHX2 P34913 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CDK1 P06493 1/20 0.39

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
SCHEMBL21542302 0.81 MEN1 (0.54) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL4089144 0.81 CDK1 (0.50) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11935031 0.81 TAAR1 (0.46) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL2099205 0.81 HDAC1 (0.44) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL2090400 0.79 MEN1 (0.42) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL6236337 0.79 MEN1 (0.55) HDAC1RHOCRHOAKIF11EPHX2
SCHEMBL11108754 0.77 RHOC (0.46) HDAC1RHOCRHOAKIF11EPHX2
SCHEMBL10499489 0.77 PRSS1 (0.52) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL10499969 0.77 PRSS1 (0.52) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL8178051 0.77 MEN1 (0.61) HDAC1RHOCRHOAKIF11EPHX2

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-20090197201-A1 FLUOROSURFACTANTS MERCK PATENT GESELLSCHAFT (DE) 2009-08-06 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-20090197201-A1 FLUOROSURFACTANTS CBR3, SCO2, FPR3 PRSS1 4279/4885F2 462/4885PRSS2 3760/4885

“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.