SCHEMBL5865883

SCHEMBL5865883

CCOC(=O)C(O)(CC(C)(C)c1cc(F)ccc1[N+](=O)[O-])C(F)(F)F.CCOC(=O)C(O)(CC(C)(C)c1ccc([N+](=O)[O-])c(F)c1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.40
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
AR P10275 4/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 1/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NR3C2 P08235 1/20 0.34
THRB P10828 1/20 0.34
RORC P51449 1/20 0.34
PGR P06401 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL5644117 0.92 FBP1 (0.43) FBP1ARMAPTPOLBNPSR1
SCHEMBL5643422 0.92 POLB (0.40) FBP1ATMTDP1MAPTPOLB
SCHEMBL3538023 0.80 POLB (0.45) ARPOLBNPSR1NR3C2PGR
SCHEMBL5644090 0.79 ATM (0.40) ATMTDP1ARMAPTHTT
SCHEMBL5645183 0.79 AR (0.43) ATMTDP1ARHTTNR3C2
SCHEMBL14340596 0.78 NR3C1 (0.52) POLBNPSR1NR3C2PGRCYP3A4
SCHEMBL142930 0.77 THRB (0.44) FBP1ATMTDP1MAPTHTT
SCHEMBL3954561 0.77 NR3C1 (0.50) ARPOLBNPSR1NR3C2PGR
SCHEMBL5642117 0.75 POLB (0.48) FBP1MAPTHTTPOLBNPSR1
SCHEMBL14035563 0.75 THRB (0.44) FBP1ATMTDP1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7129270-B2 Nonsteroidal antiinflammatory agents Schėring AG (DE) 2006-10-31 US disclosed
US-20060040933-A1 Nonsteroidal antiinflammatory agents JAROCH STEFAN 2006-02-23 US disclosed
US-20040254249-A1 Nonsteroidal antiinflammatory agents JAROCH STEFAN (DE) 2004-12-16 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-20060040933-A1 Nonsteroidal antiinflammatory agents PTGES, PTGES2, PTGS1 FBP1 2105/4885ATM 4456/4885TDP1 2586/4885
US-20040254249-A1 Nonsteroidal antiinflammatory agents PTGS1, PTGER1, PTGES2 FBP1 477/4885ATM 4710/4885TDP1 2277/4885

“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.