SCHEMBL5541524

SCHEMBL5541524

Cc1ccc(Nc2c(F)cccc2Cl)c(CC(=O)OCc2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.57
PTGS1 P23219 3/20 0.57
ABCB11 O95342 1/20 0.57
PPARG P37231 1/20 0.57
NR1I3 Q14994 1/20 0.57
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
TTR P02766 1/20 0.39
CYP2C9 P11712 1/20 0.39
TBXA2R P21731 1/20 0.39
MAPK1 P28482 1/20 0.39
GRM5 P41594 1/20 0.38

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
SCHEMBL5540152 0.93 PTGS2 (0.56) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL5534361 0.92 PTGS2 (0.55) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL5534378 0.88 PTGS2 (0.58) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL5582348 0.86 PTGS2 (0.50) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL5534350 0.85 PTGS2 (0.63) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL5538754 0.83 TTR (0.57) PTGS2PTGS1ABCB11NR1I3KMT2A
SCHEMBL5534356 0.83 PTGS2 (0.61) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL576816 0.78 PTGS2 (0.66) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL5534966 0.78 PTGS2 (0.79) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL6036175 0.78 PTGS2 (0.78) 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 1 patent. 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

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.