SCHEMBL4556264

SCHEMBL4556264

O=C(O)CC1C/C(=C\c2ccc(-c3ccc(F)cc3F)cc2)c2ccc(F)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.50
PTGS2 P35354 2/20 0.41
PTGS1 P23219 3/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
DHFR P00374 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 1/20 0.38
TTR P02766 1/20 0.38
ALB P02768 1/20 0.38
HMGB1 P09429 1/20 0.38
HPGD P15428 1/20 0.38
CXCL12 P48061 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
ACMSD Q8TDX5 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
SCHEMBL10135329 0.90 PPARG (0.49) PPARGPTGS2PTGS1MEN1KMT2A
SCHEMBL4556106 0.86 PPARG (0.48) PPARGPTGS2PTGS1KDM4EMEN1
SCHEMBL4556253 0.86 PPARG (0.48) PPARGPTGS2PTGS1EGFRCYP1A2
SCHEMBL10134592 0.86 PPARG (0.54) PPARGPTGS2PTGS1KMT2AEGFR
SCHEMBL4556250 0.84 PPARG (0.50) PPARGPTGS2PTGS1EGFRCYP1A2
SCHEMBL10135257 0.83 PPARG (0.51) PPARGKDM4EALDH1A1LMNAKMT2A
SCHEMBL4556091 0.83 PPARG (0.51) PPARGPTGS2PTGS1EGFRCYP1A2
SCHEMBL13941045 0.83 MAPT (0.52) PPARGPTGS2PTGS1MEN1ALDH1A1
SCHEMBL10134792 0.83 PPARG (0.53) PPARGPTGS2PTGS1EGFRCYP1A2
SCHEMBL13940961 0.82 PPARG (0.37) PPARGPTGS2PTGS1KDM4EMEN1

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-8168656-B2 Indoleacetic acid and indenacetic acid derivatives as therapeutic agents with reduced gastrointestinal toxicity VANDERBILT UNIVERSITY (US) 2012-05-01 US disclosed
US-20090118290-A1 Indoleacetic acid and indenacetic acid derivatives as therapeutic agents with reduced gastrointestinal toxicity VANDERBILT UNIVERSITY 2009-05-07 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-20090118290-A1 Indoleacetic acid and indenacetic acid derivatives as therapeutic agents with reduced gastrointestinal toxicity AANAT, FABP2, SI PPARG 9/4885PTGS2 68/4885PTGS1 25/4885

“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.