SCHEMBL5539028

SCHEMBL5539028

CC(C)Cc1ccc(C(C)C(=O)OCc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.55
PGR P06401 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
SLC6A2 P23975 1/20 0.55
PTGS2 P35354 9/20 0.54
PLA2G1B P04054 1/20 0.52
ATG4B Q9Y4P1 1/20 0.52
PPARA Q07869 3/20 0.49
PPARD Q03181 2/20 0.49
PPARG P37231 2/20 0.49
NR1H3 Q13133 1/20 0.47
LMNA P02545 2/20 0.45
CYP2C9 P11712 2/20 0.45
AKR1C3 P42330 2/20 0.45
CXCR1 P25024 2/20 0.45
CXCR2 P25025 2/20 0.45
ALB P02768 1/20 0.45
ESR1 P03372 1/20 0.45
ALOX5 P09917 1/20 0.45
RARB P10826 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
SCHEMBL5540441 0.89 PTGS2 (0.53) PTGS1PGRADORA3SLC6A2PTGS2
SCHEMBL576679 0.89 PTGS2 (0.57) PTGS1PGRADORA3SLC6A2PTGS2
SCHEMBL5540399 0.84 PTGS1 (0.53) PTGS1PGRADORA3SLC6A2PTGS2
SCHEMBL1393871 0.82 PTGS1 (0.67) PTGS1PGRADORA3SLC6A2PTGS2
SCHEMBL11639237 0.81 PLA2G1B (0.56) PLA2G1BATG4BPPARAPPARDPPARG
SCHEMBL5539984 0.81 PTGS2 (0.54) PTGS1PTGS2NR1H3LMNACYP2C9
SCHEMBL5540417 0.81 PTGS2 (0.55) PTGS1PGRADORA3SLC6A2PTGS2
SCHEMBL11278076 0.80 PTGS1 (0.60) PTGS1PGRADORA3SLC6A2PTGS2
SCHEMBL577384 0.80 PTGS2 (0.63) PTGS1PGRADORA3SLC6A2PTGS2
SCHEMBL2687554 0.79 PTGS2 (0.56) PTGS1PTGS2PLA2G1BATG4BPPARA

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 2 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

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 PTGS1 8/4885PGR 1593/4885ADORA3 2915/4885

“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.