SCHEMBL576816

SCHEMBL576816

Cc1ccc(Nc2c(F)cccc2Cl)c(CC(=O)NN2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.66
PTGS1 P23219 3/20 0.66
ABCB11 O95342 1/20 0.66
PPARG P37231 1/20 0.66
NR1I3 Q14994 1/20 0.66
GAA P10253 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL5534350 0.82 PTGS2 (0.63) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL576775 0.82 PTGS2 (0.65) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL576935 0.81 PTGS2 (0.77) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL5534356 0.81 PTGS2 (0.61) PTGS2PTGS1ABCB11PPARGNR1I3
Lumiracoxib SCHEMBL29475008 0.80 PTGS2 (1.00) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL577936 0.80 PTGS2 (0.60) PTGS2PTGS1ABCB11NR1I3GAA
SCHEMBL5533958 0.80 PTGS2 (0.82) PTGS2PTGS1ABCB11PPARGNR1I3
Lumiracoxib SCHEMBL4479 0.80 PTGS2 (1.00) PTGS2PTGS1ABCB11PPARGNR1I3
Lumiracoxib SCHEMBL29377334 0.80 PTGS2 (1.00) PTGS2PTGS1ABCB11PPARGNR1I3
Lumiracoxib SCHEMBL27680523 0.79 PTGS2 (0.98) PTGS2PTGS1ABCB11PPARGNR1I3

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-20120115817-A1 PHTHALIMIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS AND/OR TNF-ALPHA MODULATORS, METHOD FOR PRODUCING SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES THEREOF FOR THE TREATMENT OF INFLAMMATORY DISEASES EMS S.A. (BR) 2012-05-10 US disclosed
US-20120115817-A1 PHTHALIMIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS AND/OR TNF-ALPHA MODULATORS, METHOD FOR PRODUCING SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES THEREOF FOR THE TREATMENT OF INFLAMMATORY DISEASES EMS S.A. (BR) 2012-05-10 US disclosed
EP-2418200-A1 PHTHALIMIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS AND/OR TNF- MODULATORS, METHOD FOR PRODUCING SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES THEREOF FOR THE TREATMENT OF INFLAMMATORY DISEASES EMS S. A. (BR) 2012-02-15 EP 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-20120115817-A1 PHTHALIMIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS AND/OR TNF-ALPHA MODULATORS, METHOD FOR PRODUCING SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES THEREOF FOR THE TREATMENT OF INFLAMMATORY DISEASES TNF, PER2, CRY1 PTGS2 12/4885PTGS1 8/4885ABCB11 3109/4885

“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.