SCHEMBL5549029

SCHEMBL5549029

CCOC(=O)C(Cc1cc(Br)c(OC)c(CNC(=O)OC(C)(C)C)c1)OC(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
EPHX2 P34913 2/20 0.32
KCNA5 P22460 1/20 0.32
MAPT P10636 4/20 0.32
NPSR1 Q6W5P4 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
XBP1 P17861 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
RECQL P46063 1/20 0.32
ALDH1A1 P00352 1/20 0.32
AAK1 Q2M2I8 2/20 0.31
TRPV1 Q8NER1 1/20 0.31
PPARG P37231 3/20 0.31
GFER P55789 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
SCN9A Q15858 1/20 0.31

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
SCHEMBL5549041 0.90 ALDH1A1 (0.36) PPARDPPARAKCNA5MAPTNPSR1
SCHEMBL5552685 0.89 PPARD (0.44) PPARDPPARAEPHX2KCNA5MAPT
SCHEMBL5549065 0.89 AAK1 (0.34) EPHX2KCNA5MAPTNPSR1L3MBTL1
SCHEMBL5549709 0.86 NSD2 (0.34) PPARDPPARAKCNA5MAPTNPSR1
SCHEMBL6496923 0.83 PPARA (0.45) PPARDPPARAPPARG
SCHEMBL6497083 0.81 AAK1 (0.36) KCNA5MAPTNPSR1L3MBTL1TDP1
SCHEMBL5553488 0.81 KCNA5 (0.33) KCNA5MAPTNPSR1L3MBTL1TDP1
SCHEMBL5549723 0.81 HDAC1 (0.39) EPHX2KCNA5MAPTNPSR1L3MBTL1
SCHEMBL5552678 0.79 TRPV1 (0.38) PPARDPPARAKCNA5MAPTNPSR1
SCHEMBL6503438 0.79 PPARG (0.44) PPARDPPARAMAPTNPSR1L3MBTL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7244861-B2 Benzene compound and salt thereof EISAI CO., LTD. (JP) 2007-07-17 US disclosed
US-7244861-B2 Benzene compound and salt thereof EISAI CO., LTD. (JP) 2007-07-17 US disclosed
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
US-20040138271-A1 Benzene compound and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-07-15 US disclosed
EP-1375472-A1 BENZENE COMPOUND AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-02 EP disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP 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-20040138271-A1 Benzene compound and salt thereof INSR, SLC5A1, IRS1 PPARD 558/4885PPARA 602/4885EPHX2 4153/4885

“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.