SCHEMBL4332539

SCHEMBL4332539

CC(C)O[C@@H](Cc1cccc(OC[C@@H](F)COc2ccc(Cl)cc2Cl)c1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.50
PPARG P37231 10/20 0.45
MRGPRX4 Q96LA9 2/20 0.42
PPARD Q03181 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
MDM2 Q00987 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FFAR1 O14842 1/20 0.39

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
SCHEMBL4332536 1.00 PPARA (0.50) PPARAPPARGMRGPRX4PPARDSMN1; SMN2
SCHEMBL4339171 1.00 PPARA (0.50) PPARAPPARGMRGPRX4PPARDSMN1; SMN2
SCHEMBL4328248 0.91 SCN4A (0.46) PPARAPPARGMRGPRX4PPARDMAPT
SCHEMBL4328252 0.91 SCN4A (0.46) PPARAPPARGMRGPRX4PPARDMAPT
SCHEMBL4335119 0.91 SCN4A (0.46) PPARAPPARGMRGPRX4PPARDMAPT
SCHEMBL4327644 0.91 PPARA (0.51) PPARAPPARGMRGPRX4PPARDSMN1; SMN2
SCHEMBL4327650 0.91 PPARA (0.51) PPARAPPARGMRGPRX4PPARDSMN1; SMN2
SCHEMBL4327910 0.91 PPARA (0.51) PPARAPPARGMRGPRX4PPARDSMN1; SMN2
SCHEMBL4336482 0.91 PPARA (0.53) PPARAPPARGMRGPRX4PPARDSMN1; SMN2
SCHEMBL6651371 0.91 PPARA (0.53) PPARAPPARGMRGPRX4PPARDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US claimed
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-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 US claimed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 EP claimed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 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-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 US disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 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-20040102634-A1 Carboxylic acid derivative and salt thereof GPR119, IRS1, SLC5A1 PPARA 339/4885PPARG 379/4885MRGPRX4 428/4885
US-20060177444-A1 Concomitant drug as therapeutic agent for inflammatory bowel disease PPARG, PPARA, NR3C1 PPARA 2/4885PPARG 1/4885MRGPRX4 984/4885

“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.