SCHEMBL5549020

SCHEMBL5549020

Cc1sc(-c2ccccc2)nc1C(=O)NCc1cc(CC(OC(C)C)C(=O)O)cc2ccoc12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.39
PPARA Q07869 11/20 0.39
PPARD Q03181 8/20 0.39
PARP1 P09874 1/20 0.36
NPC1 O15118 3/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL14454402 0.89 HPGD (0.48) PPARGPPARAPPARDNPC1HPGD
SCHEMBL6504835 0.84 PPARG (0.43) PPARGPPARAPPARDPARP1
SCHEMBL5552676 0.84 PPARA (0.42) PPARGPPARAPPARDPARP1RAB9A
SCHEMBL6495630 0.83 PPARA (0.38) PPARGPPARAPPARDPARP1NPC1
SCHEMBL5549705 0.83 PPARA (0.38) PPARGPPARAPPARDPARP1NPC1
SCHEMBL6502624 0.83 PPARG (0.46) PPARGPPARAPPARD
SCHEMBL5553501 0.83 PPARG (0.36) PPARGPPARAPPARDPARP1NPC1
SCHEMBL6497966 0.82 PPARG (0.38) PPARGPPARAPPARDPARP1NPC1
SCHEMBL6497310 0.81 PPARG (0.54) PPARGPPARAPPARD
SCHEMBL6496886 0.81 PPARG (0.41) PPARGPPARAPPARDMAPTLMNA

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.