SCHEMBL331457

SCHEMBL331457

COC(=O)c1nn(CCOCC(F)F)c(C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
HNF4A P41235 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL330524 0.90 SMN1; SMN2 (0.40) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL332743 0.86 MEN1 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2CNR1
SCHEMBL333010 0.85 MEN1 (0.38) MEN1KMT2AALDH1A1SMN1; SMN2CNR1
SCHEMBL331607 0.84 MEN1 (0.36) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL332681 0.84 MEN1 (0.36) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL331756 0.83 MEN1 (0.35) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL331565 0.83 KMT2A (0.38) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL8253700 0.79 MEN1 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2CNR1
SCHEMBL27623414 0.78 MEN1 (0.40) MEN1KMT2AALDH1A1SMN1; SMN2CNR1
SCHEMBL331886 0.78 MEN1 (0.39) MEN1KMT2AALDH1A1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097621-B2 Pyrazolo[4,3-d]pyrimidines as phosphodiesterase inhibitors PFIZER INC. (US) 2012-01-17 US disclosed
US-8097621-B2 Pyrazolo[4,3-d]pyrimidines as phosphodiesterase inhibitors PFIZER INC. (US) 2012-01-17 US disclosed
EP-1689751-B1 5,7-DIAMINOPYRAZOLO[4,3-D]PYRIMIDINES WITH PDE-5 INHIBITING ACTIVITY PFIZER LTD (GB) 2010-10-20 EP disclosed
US-20090247539-A1 Novel Pharmaceuticals PFIZER INC 2009-10-01 US disclosed
US-20090247539-A1 Novel Pharmaceuticals PFIZER INC 2009-10-01 US disclosed
US-7572799-B2 Pyrazolo[4,3-d]pyrimidines as Phosphodiesterase Inhibitors PFIZER INC (US) 2009-08-11 US disclosed
US-7572799-B2 Pyrazolo[4,3-d]pyrimidines as Phosphodiesterase Inhibitors PFIZER INC (US) 2009-08-11 US disclosed
US-20050245544-A1 Novel pharmaceuticals AMPLIFIED PROTEOMICS INC. 2005-11-03 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-20050245544-A1 Novel pharmaceuticals ABCB11, PCSK9, SLC10A1 MEN1 702/4885KMT2A 4632/4885ALDH1A1 851/4885
US-20090247539-A1 Novel Pharmaceuticals ABCB11, PCSK9, SLC10A1 MEN1 702/4885KMT2A 4632/4885ALDH1A1 851/4885

“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.