SCHEMBL576679

SCHEMBL576679

CC(C)Cc1ccc(C(C)C(=O)OCCc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.57
PPARA Q07869 4/20 0.53
PPARD Q03181 3/20 0.53
PPARG P37231 2/20 0.53
PLA2G1B P04054 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
NR1H3 Q13133 4/20 0.48
PGR P06401 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
NR1H2 P55055 1/20 0.45

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
SCHEMBL5539028 0.89 PTGS1 (0.55) PTGS2PPARAPPARDPPARGPLA2G1B
SCHEMBL577384 0.82 PTGS2 (0.63) PTGS2PGRADORA3PTGS1SLC6A2
SCHEMBL2687772 0.81 PTGS2 (0.57) PTGS2PPARAPPARDPPARGNR1H3
SCHEMBL5540441 0.81 PTGS2 (0.53) PTGS2PPARAPPARGPLA2G1BATG4B
SCHEMBL5541981 0.80 PTGS2 (0.56) PTGS2PPARAPPARDPPARGPLA2G1B
SCHEMBL11639237 0.80 PLA2G1B (0.56) PPARAPPARDPPARGPLA2G1BATG4B
SCHEMBL576680 0.79 PTGS2 (0.51) PTGS2PGRADORA3PTGS1SLC6A2
SCHEMBL5540417 0.79 PTGS2 (0.55) PTGS2PGRADORA3PTGS1SLC6A2
SCHEMBL5540399 0.78 PTGS1 (0.53) PTGS2NR1H3PGRADORA3PTGS1
SCHEMBL23969657 0.77 PTGS2 (0.53) PTGS2PGRADORA3PTGS1SLC6A2

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
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 claimed
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
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

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 12/4885PPARA 117/4885PPARD 223/4885

“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.