SCHEMBL4329366

SCHEMBL4329366

CCOc1ccc(CC(OC(C)C)C(=O)O)cc1NC(=O)COc1ccc(Cl)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.53
CYP1A2 P05177 3/20 0.53
CYP2C19 P33261 3/20 0.53
MAPT P10636 4/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
RAB9A P51151 3/20 0.46
RECQL P46063 1/20 0.46
LMNA P02545 3/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 1/20 0.46
KCNJ6 P48051 1/20 0.45
KCNJ5 P48544 1/20 0.45
KCNJ3 P48549 1/20 0.45
TSHR P16473 2/20 0.44
NPC1 O15118 2/20 0.44
TP53 P04637 2/20 0.44
PKM P14618 2/20 0.44

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
SCHEMBL4337189 0.92 MAPT (0.52) SMN1; SMN2CYP1A2CYP2C19MAPTHTT
SCHEMBL4347175 0.91 MEN1 (0.50) SMN1; SMN2CYP1A2CYP2C19MAPTL3MBTL1
SCHEMBL4337069 0.90 PPARG (0.46) SMN1; SMN2CYP1A2CYP2C19MAPTL3MBTL1
SCHEMBL4328620 0.87 L3MBTL1 (0.48) SMN1; SMN2CYP1A2CYP2C19MAPTHTT
SCHEMBL4331663 0.86 SMN1; SMN2 (0.50) SMN1; SMN2MAPTHTTL3MBTL1MEN1
SCHEMBL4335361 0.83 PPARA (0.47) SMN1; SMN2CYP1A2CYP2C19MAPTHTT
SCHEMBL4336526 0.83 PPARG (0.45) SMN1; SMN2CYP1A2CYP2C19MAPTHTT
SCHEMBL4328777 0.83 RAB9A (0.54) SMN1; SMN2CYP1A2CYP2C19MAPTHTT
SCHEMBL4335087 0.83 KMT2A (0.41) SMN1; SMN2CYP1A2CYP2C19MAPTHTT
SCHEMBL4329430 0.81 PPARA (0.40) SMN1; SMN2CYP1A2CYP2C19MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20040102634-A1 Carboxylic acid derivative and salt thereof GPR119, IRS1, SLC5A1 SMN1; SMN2 3054/4885CYP1A2 1508/4885CYP2C19 2209/4885

“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.