SCHEMBL5541981

SCHEMBL5541981

CC(C(=O)OCCc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.56
PTGS1 P23219 5/20 0.56
PPARA Q07869 4/20 0.49
GLI1 P08151 2/20 0.48
GLI2 P10070 2/20 0.48
MAPT P10636 2/20 0.47
CXCR1 P25024 2/20 0.47
CXCR2 P25025 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RECQL P46063 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
PMP22 Q01453 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CXCL8 P10145 1/20 0.47

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
SCHEMBL2687554 0.90 PTGS2 (0.56) PTGS2PTGS1PPARAGLI1GLI2
SCHEMBL2687756 0.83 PTGS2 (0.57) PTGS2PTGS1GLI1GLI2MAPT
SCHEMBL2703764 0.81 PTGS2 (0.59) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL576679 0.80 PTGS2 (0.57) PTGS2PTGS1PPARAPPARDPPARG
SCHEMBL2687772 0.79 PTGS2 (0.57) PTGS2PTGS1PPARAMAPTLMNA
SCHEMBL5541854 0.79 PTGS2 (0.61) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL5534645 0.78 PTGS2 (0.54) PTGS2PTGS1GLI1GLI2MAPT
SCHEMBL20510448 0.76 PTGS2 (0.64) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL16845877 0.75 PTGS2 (0.70) PTGS2PTGS1GLI1GLI2MAPT
SCHEMBL21908445 0.75 PTGS2 (0.70) PTGS2PTGS1GLI1GLI2MAPT

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 PTGS2 12/4885PTGS1 8/4885PPARA 117/4885

“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.