SCHEMBL5552689

SCHEMBL5552689

CC(C)OC(Cc1cc(CNC(=O)c2ccc(Cl)cc2Cl)c2occc2c1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.39
PPARG P37231 3/20 0.39
PPARD Q03181 2/20 0.39
ALDH1A1 P00352 3/20 0.38
ALOX12 P18054 1/20 0.38
POLB P06746 3/20 0.38
THRB P10828 1/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CTSL P07711 1/20 0.37
TMEM97 Q5BJF2 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 2/20 0.36
GAA P10253 1/20 0.36
PSMB5 P28074 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL5553497 0.91 PPARG (0.38) PPARAPPARGPPARDALDH1A1HPGD
SCHEMBL5553542 0.88 PPARG (0.40) PPARAPPARGPPARDALDH1A1SMN1; SMN2
SCHEMBL14454400 0.81 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL5554858 0.80 PPARA (0.42) PPARAPPARGPPARDPOLBTHRB
SCHEMBL6496468 0.80 MAPT (0.38) PPARAPPARGPPARDALDH1A1POLB
SCHEMBL6060873 0.80 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL6060870 0.80 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL6494267 0.80 PPARA (0.44) PPARAPPARGPPARDPOLBTHRB
SCHEMBL5553481 0.80 PPARA (0.48) PPARAPPARGPPARDALDH1A1POLB
SCHEMBL5549733 0.80 APEX1 (0.39) PPARAPPARGPPARDALDH1A1ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060177444-A1 Concomitant drug as therapeutic agent for inflammatory bowel disease EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-08-10 US claimed
EP-1607103-A1 CONCOMITANT DRUG AS THERAPEUTIC AGENT FOR INFLAMMATORY BOWEL DISEASE Eisai Co., Ltd. (JP) 2005-12-21 EP claimed
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-7244861-B2 Benzene compound and salt thereof EISAI CO., LTD. (JP) 2007-07-17 US disclosed
US-20060177444-A1 Concomitant drug as therapeutic agent for inflammatory bowel disease EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-08-10 US disclosed
EP-1607103-A1 CONCOMITANT DRUG AS THERAPEUTIC AGENT FOR INFLAMMATORY BOWEL DISEASE Eisai Co., Ltd. (JP) 2005-12-21 EP 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 (2 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 602/4885PPARG 620/4885PPARD 558/4885
US-20060177444-A1 Concomitant drug as therapeutic agent for inflammatory bowel disease PPARG, PPARA, NR3C1 PPARA 2/4885PPARG 1/4885PPARD 4/4885

“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.