SCHEMBL5549065

SCHEMBL5549065

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

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 4/20 0.34
PPARG P37231 2/20 0.33
KCNA5 P22460 1/20 0.33
EPHX2 P34913 1/20 0.33
SERPINE1 P05121 1/20 0.33
MAPT P10636 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
SCN9A Q15858 1/20 0.33
XBP1 P17861 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
RECQL P46063 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TACR1 P25103 1/20 0.32

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
SCHEMBL5549029 0.89 PPARD (0.33) AAK1PPARGKCNA5EPHX2MAPT
SCHEMBL5553488 0.88 KCNA5 (0.33) AAK1PPARGKCNA5SERPINE1MAPT
SCHEMBL5553545 0.86 TRPV1 (0.32) PPARGKCNA5EPHX2SERPINE1MAPT
SCHEMBL14454398 0.85 KCNA5 (0.32) PPARGKCNA5SERPINE1MAPTNPSR1
SCHEMBL5549723 0.84 HDAC1 (0.39) PPARGKCNA5EPHX2MAPTNPSR1
SCHEMBL5549041 0.83 ALDH1A1 (0.36) PPARGKCNA5MAPTNPSR1SCN9A
SCHEMBL6503438 0.82 PPARG (0.44) PPARGMAPTNPSR1XBP1TDP1
SCHEMBL6497644 0.82 ALDH1A1 (0.43) PPARGKCNA5EPHX2MAPTNPSR1
SCHEMBL6496923 0.82 PPARA (0.45) PPARG
SCHEMBL5552685 0.81 PPARD (0.44) AAK1PPARGKCNA5EPHX2MAPT

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 AAK1 1772/4885PPARG 620/4885KCNA5 244/4885

“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.