SCHEMBL6948011

SCHEMBL6948011

CC(C)(S)CN1CCC[C@H]1CO

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SPHK2 Q9NRA0 10/20 0.39
SPHK1 Q9NYA1 10/20 0.39
PARP1 P09874 1/20 0.32
LMNA P02545 1/20 0.32
CFB P00751 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL6428879 1.00 POLB (0.40) POLBL3MBTL1SPHK2SPHK1PARP1
SCHEMBL12891024 0.85 POLB (0.42) POLBL3MBTL1SPHK2SPHK1PARP1
SCHEMBL12156688 0.85 POLB (0.42) POLBL3MBTL1SPHK2SPHK1PARP1
SCHEMBL12891026 0.85 POLB (0.42) POLBL3MBTL1SPHK2SPHK1PARP1
SCHEMBL13212589 0.79 CFB (0.38) POLBL3MBTL1SPHK2SPHK1CFB
SCHEMBL13500529 0.79 CFB (0.38) POLBL3MBTL1SPHK2SPHK1CFB
SCHEMBL13212595 0.79 CFB (0.38) POLBL3MBTL1SPHK2SPHK1CFB
SCHEMBL20569702 0.77 POLB (0.42) POLBL3MBTL1SPHK2SPHK1ALDH1A1
SCHEMBL13656348 0.74 SPHK2 (0.46) POLBL3MBTL1SPHK2SPHK1PARP1
SCHEMBL13656349 0.74 SPHK2 (0.46) POLBL3MBTL1SPHK2SPHK1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030207919-A1 Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositions and methods of use NICOX S.A. (FR) 2003-11-06 US disclosed
US-6593347-B2 Especially a nitrosated and/or nitrosylated arylpropionic acid, arylacetic acid, enolic anilide or an oxicam NITROMED, INC. 2003-07-15 US disclosed
US-20020016322-A1 Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositons and methods of use NICOX S.A. (FR) 2002-02-07 US disclosed
US-6297260-B1 Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositions and methods of use NITROMED, INC. 2001-10-02 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-20020016322-A1 Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositons and methods of use NOS2, NOS3, NOS1 POLB 3012/4885L3MBTL1 4541/4885SPHK2 2031/4885
US-20030207919-A1 Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositions and methods of use NOS2, NOS1, NOS3 POLB 4189/4885L3MBTL1 4746/4885SPHK2 1299/4885

“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.