SCHEMBL6430962

SCHEMBL6430962

CC(C(=O)OC(=O)C(C)c1cccc(C(=O)c2ccccc2)c1)c1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.80
PTGS1 P23219 6/20 0.80
MAPT P10636 5/20 0.73
SMN1; SMN2 Q16637 3/20 0.73
ALDH1A1 P00352 3/20 0.73
LMNA P02545 3/20 0.73
CXCR1 P25024 2/20 0.73
CXCR2 P25025 2/20 0.73
CYP3A4 P08684 2/20 0.73
RECQL P46063 1/20 0.73
KDM4E B2RXH2 1/20 0.73
HPGD P15428 1/20 0.73
MAPK1 P28482 1/20 0.73
PMP22 Q01453 1/20 0.73
SLC22A6 Q4U2R8 1/20 0.73
HSD17B10 Q99714 1/20 0.73
CXCL8 P10145 1/20 0.73
THPO P40225 1/20 0.73
HIF1A Q16665 1/20 0.73
HTT P42858 3/20 0.57

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
SCHEMBL20079537 0.89 PTGS2 (0.78) PTGS2PTGS1MAPTSMN1; SMN2ALDH1A1
SCHEMBL9086931 0.89 PTGS1 (1.00) PTGS2PTGS1MAPTSMN1; SMN2ALDH1A1
SCHEMBL8754918 0.89 PTGS1 (1.00) PTGS2PTGS1MAPTSMN1; SMN2ALDH1A1
SCHEMBL577323 0.89 PTGS1 (1.00) PTGS2PTGS1MAPTSMN1; SMN2ALDH1A1
SCHEMBL12935378 0.89 PTGS1 (1.00) PTGS2PTGS1MAPTSMN1; SMN2ALDH1A1
SCHEMBL27398700 0.89 PTGS2 (0.68) PTGS2PTGS1MAPTSMN1; SMN2ALDH1A1
SCHEMBL4733889 0.88 PTGS2 (0.76) PTGS2PTGS1MAPTSMN1; SMN2ALDH1A1
SCHEMBL9555892 0.86 PTGS2 (0.74) PTGS2PTGS1MAPTSMN1; SMN2ALDH1A1
SCHEMBL30436399 0.86 PTGS2 (0.74) PTGS2PTGS1MAPTSMN1; SMN2ALDH1A1
SCHEMBL16811763 0.85 PTGS2 (0.72) PTGS2PTGS1MAPTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1126838-A4 NITROSATED AND NITROSYLATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2005-02-16 EP disclosed
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
EP-1126838-A1 NITROSATED AND NITROSYLATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2001-08-29 EP disclosed
WO-2000025776-A1 NITROSATED AND NITROSYLATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2000-05-11 WO 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 PTGS2 7/4885PTGS1 5/4885MAPT 1522/4885
US-20030207919-A1 Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositions and methods of use NOS2, NOS1, NOS3 PTGS2 7/4885PTGS1 4/4885MAPT 2618/4885

“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.