SCHEMBL5553471

SCHEMBL5553471

COc1c(C#N)cc(CC(OC(C)C)C(=O)O)cc1C(N)C(=O)c1nc(-c2ccccc2)sc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.35
PPARA Q07869 10/20 0.35
PPARD Q03181 7/20 0.35
XDH P47989 2/20 0.33
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
ABCC4 O15439 1/20 0.32
ABCB11 O95342 1/20 0.32
PGR P06401 1/20 0.32
CHRM1 P11229 1/20 0.32
PDE4A P27815 1/20 0.32
BLVRB P30043 1/20 0.32
TARBP2 Q15633 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDE4B Q07343 2/20 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
SCHEMBL5552673 0.89 PPARG (0.37) PPARGPPARAPPARDMAPTL3MBTL1
SCHEMBL5549704 0.88 PPARG (0.38) PPARGPPARAPPARDMAPTL3MBTL1
SCHEMBL5553473 0.83 PPARA (0.36) PPARGPPARAPPARDMAPTL3MBTL1
SCHEMBL6504833 0.81 PPARG (0.40) PPARGPPARAPPARDXDHMAPT
SCHEMBL6502621 0.80 PPARG (0.41) PPARGPPARAPPARDL3MBTL1SMN1; SMN2
SCHEMBL5549053 0.79 PPARG (0.35) PPARGPPARAPPARDMAPTL3MBTL1
SCHEMBL6497309 0.78 PPARG (0.41) PPARGPPARAPPARDSMN1; SMN2
SCHEMBL6496883 0.78 PPARA (0.42) PPARGPPARAPPARD
SCHEMBL5552665 0.77 PPARG (0.35) PPARGPPARAPPARDMAPTL3MBTL1
SCHEMBL6495624 0.77 PPARG (0.39) PPARGPPARAPPARDPARP1

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 5 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-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 PPARG 620/4885PPARA 602/4885PPARD 558/4885

“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.