SCHEMBL6280237

SCHEMBL6280237

COC(=O)C(F)(OS(=O)(=O)C(F)(F)F)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.42
GPR17 Q13304 1/20 0.41
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
ALOX5 P09917 1/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
HTT P42858 3/20 0.40
MPO P05164 1/20 0.40
ALDH1A1 P00352 4/20 0.40
TP53 P04637 2/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 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
SCHEMBL15055107 0.79 PTPRC (0.50) PTPRCMEN1KMT2AHTTALDH1A1
SCHEMBL3577016 0.78 PTPRC (0.52) PTPRCALOX5MEN1KMT2AHTT
SCHEMBL7664781 0.75 PTPRC (0.55) PTPRCALOX5MEN1KMT2AHTT
Dinitrophenylene SCHEMBL27493215 0.75 TSHR (0.55) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL246681 0.73 PTPRC (0.52) PTPRCF2PRSS1PRSS2PRSS3
SCHEMBL12350295 0.72 PTPRC (0.48) PTPRCF2PRSS1PRSS2PRSS3
SCHEMBL569162 0.71 PTPRC (0.50) PTPRCF2PRSS1PRSS2PRSS3
SCHEMBL3061495 0.71 ALDH1A1 (0.53) PTPRCMEN1KMT2AHTTALDH1A1
SCHEMBL569163 0.71 PTPRC (0.50) PTPRCF2PRSS1PRSS2PRSS3
SCHEMBL27901488 0.71 PTPRC (0.44) PTPRCF2PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6852761-B2 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2005-02-08 US disclosed
US-20030236231-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2003-12-25 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-20030236231-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade TFPI, TFPI2, PLAT PTPRC 976/4885GPR17 1442/4885F2 5/4885

“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.