SCHEMBL503634

SCHEMBL503634

CC(C)Oc1ccc(Oc2ccc3c(c2)c(C(=O)O)c(CC(=O)O)n3-c2ccc(Oc3ccc(SC(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PTGES O14684 3/20 0.37
KDM4E B2RXH2 2/20 0.36
PPARG P37231 5/20 0.36
PPARA Q07869 2/20 0.36
USP14 P54578 1/20 0.35
GAA P10253 1/20 0.35
BCL2 P10415 1/20 0.35
MDM2 Q00987 1/20 0.35
MCL1 Q07820 1/20 0.35
PLA2G4A P47712 1/20 0.34
P2RX3 P56373 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 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
SCHEMBL504356 0.88 PPARG (0.42) MEN1KMT2APTGESKDM4EPPARG
SCHEMBL361319 0.88 PPARG (0.42) MEN1KMT2APTGESKDM4EPPARG
SCHEMBL334349 0.88 PPARG (0.44) MEN1KMT2APTGESPPARGPPARA
SCHEMBL333231 0.86 MEN1 (0.48) MEN1KMT2APTGESKDM4EUSP14
SCHEMBL334350 0.85 PTGES (0.52) MEN1KMT2APTGESKDM4EPPARG
SCHEMBL503872 0.85 USP14 (0.48) MEN1KMT2APTGESKDM4EPPARG
SCHEMBL334235 0.85 BCL2 (0.42) MEN1KMT2APTGESKDM4EUSP14
SCHEMBL360369 0.84 PPARG (0.47) MEN1KMT2APTGESKDM4EPPARG
SCHEMBL333817 0.84 PPARG (0.52) PTGESPPARGPPARA
SCHEMBL10051927 0.83 KMT2A (0.42) MEN1KMT2APTGESKDM4EPPARG

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 MEN1 2934/4885KMT2A 1783/4885PTGES 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.