SCHEMBL4548598

SCHEMBL4548598

O=C(O)CC1=C/C(=C\c2ccc(-c3ccc(F)cc3F)cc2)c2ccc(F)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 1.00
PTGS1 P23219 3/20 0.80
RXRA P19793 1/20 0.70

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
SCHEMBL4548520 0.92 PPARG (0.85) PPARGPTGS1RXRA
SCHEMBL4548597 0.89 PPARG (1.00) PPARGPTGS1RXRA
SCHEMBL4548581 0.86 PPARG (1.00) PPARGPTGS1RXRA
SCHEMBL4548565 0.85 PPARG (1.00) PPARGPTGS1RXRA
SCHEMBL4548564 0.85 PPARG (0.79) PPARGPTGS1RXRA
SCHEMBL4548511 0.85 PPARG (1.00) PPARGPTGS1RXRA
SCHEMBL4548519 0.84 PPARG (1.00) PPARGPTGS1RXRA
SCHEMBL24101882 0.83 PPARG (0.81) PPARGPTGS1RXRA
SCHEMBL4548513 0.83 PPARG (0.78) PPARGPTGS1RXRA
SCHEMBL4548594 0.83 PPARG (1.00) PPARGPTGS1RXRA

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 9/4885PTGS1 25/4885RXRA 329/4885

“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.