SCHEMBL503635

SCHEMBL503635

CC(C)Oc1ccc(Oc2ccc3c(c2)c(C(=O)O)c(CC(=O)O)n3-c2ccc(Oc3cc(C(F)(F)F)cs3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.39
PPARA Q07869 6/20 0.39
PTGES O14684 3/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BCL2 P10415 1/20 0.34
MDM2 Q00987 1/20 0.34
MCL1 Q07820 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
USP14 P54578 1/20 0.33
PTGDR Q13258 1/20 0.33

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
SCHEMBL334349 0.90 PPARG (0.44) PPARGPPARAPTGESMEN1KMT2A
SCHEMBL333817 0.86 PPARG (0.52) PPARGPPARAPTGESAKR1C3AKR1C2
SCHEMBL361319 0.85 PPARG (0.42) PPARGPPARAPTGESMEN1KMT2A
SCHEMBL504356 0.85 PPARG (0.42) PPARGPPARAPTGESMEN1KMT2A
SCHEMBL334350 0.84 PTGES (0.52) PPARGPPARAPTGESMEN1KMT2A
SCHEMBL333231 0.83 MEN1 (0.48) PTGESMEN1KMT2AAKR1C3AKR1C2
SCHEMBL503634 0.82 MEN1 (0.38) PPARGPPARAPTGESMEN1KMT2A
SCHEMBL503872 0.82 USP14 (0.48) PPARGPTGESMEN1KMT2AAKR1C3
SCHEMBL334235 0.82 BCL2 (0.42) PTGESMEN1KMT2ABCL2MDM2
SCHEMBL333764 0.81 PPARG (0.42) PPARGPPARAPTGES

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-20120029016-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SW) 2012-02-02 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-20120029016-A1 Indoles Useful in the Treatment of Inflammation LTC4S, LTB4R2, LTB4R PPARG 3260/4885PPARA 1860/4885PTGES 10/4885

“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.