SCHEMBL3413552

SCHEMBL3413552

CCCOc1ccc(C(=O)NCc2cc(-c3cccc(CCC(=O)O)c3)ccc2OC)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.46
PPARA Q07869 8/20 0.45
PPARG P37231 6/20 0.45
PPARD Q03181 5/20 0.45
HCRTR2 O43614 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL13433434 0.92 PPARA (0.47) PPARAPPARGPPARDHCRTR2ALDH1A1
SCHEMBL13460856 0.89 PPARG (0.43) PPARAPPARGPPARDHCRTR2ALDH1A1
SCHEMBL3413759 0.87 PPARD (0.49) FFAR1PPARAPPARGPPARDNPC1
SCHEMBL13433443 0.86 PTPN11 (0.49) PPARAPPARGPPARDALDH1A1MEN1
SCHEMBL3414075 0.86 PPARD (0.61) PPARAPPARGPPARDKMT2A
SCHEMBL3417664 0.86 PPARA (0.58) PPARAPPARGPPARD
SCHEMBL3413717 0.84 PPARD (0.48) PPARAPPARGPPARDALDH1A1LMNA
SCHEMBL13461073 0.84 PPARA (0.44) PPARAPPARGPPARDHCRTR2
SCHEMBL13460876 0.84 PPARD (0.45) PPARAPPARGPPARDALDH1A1GAA
SCHEMBL3413284 0.84 PSEN1 (0.44) PPARAPPARGPPARDALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 US disclosed
US-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 US disclosed
US-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-10-28 US disclosed
EP-1394147-A1 CARBOXYLIC ACID DERIVATIVE AND MEDICINE COMPRISING SALT OR ESTER OF THE SAME Eisai Co., Ltd. (JP) 2004-03-03 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-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same GPR119, NR3C1, INSR FFAR1 25/4885PPARA 130/4885PPARG 238/4885

“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.