SCHEMBL5553473

SCHEMBL5553473

COc1c(C#N)cc(CC(OC(C)C)C(=O)O)cc1CNC(=O)c1nc(-c2ccccc2)sc1C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.36
PPARD Q03181 7/20 0.36
PPARG P37231 6/20 0.36
PARP1 P09874 1/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 2/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
KCNA5 P22460 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
EGLN2 Q96KS0 2/20 0.33
EGLN1 Q9GZT9 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL14454397 0.90 HPGD (0.46) PPARASMN1; SMN2MAPTNPC1HPGD
SCHEMBL5552676 0.89 PPARA (0.42) PPARAPPARDPPARGPARP1POLB
SCHEMBL5549705 0.88 PPARA (0.38) PPARAPPARDPPARGPARP1POLB
SCHEMBL14454396 0.85 XDH (0.43) PPARAPPARDPPARGKDM4ERAB9A
SCHEMBL5553471 0.83 PPARG (0.35) PPARAPPARDPPARGPARP1SMN1; SMN2
SCHEMBL6497966 0.83 PPARG (0.38) PPARAPPARDPPARGPARP1L3MBTL1
SCHEMBL5549055 0.81 PPARA (0.43) PPARAPPARDPPARGPARP1MAPT
SCHEMBL6504835 0.81 PPARG (0.43) PPARAPPARDPPARGPARP1
SCHEMBL5549020 0.81 PPARG (0.39) PPARAPPARDPPARGPARP1RAB9A
SCHEMBL6502624 0.80 PPARG (0.46) PPARAPPARDPPARG

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

“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.