SCHEMBL4336281

SCHEMBL4336281

O=C(Nc1ccc(C(F)(F)F)cc1)OCCc1cccc(CC(C(=O)O)C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.51
MGLL Q99685 2/20 0.50
MTOR P42345 2/20 0.45
PPARA Q07869 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
CNR1 P21554 1/20 0.43
ROCK2 O75116 1/20 0.43
LMNA P02545 1/20 0.43
IDH1 O75874 1/20 0.43
BAZ1A Q9NRL2 1/20 0.43
EPHX2 P34913 1/20 0.43

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
SCHEMBL13810358 0.91 MGLL (0.46) FPR2MGLLMTORPPARAMAPT
SCHEMBL4333321 0.89 MGLL (0.60) FPR2MGLLMTORPPARASMN1; SMN2
SCHEMBL4339388 0.87 MGLL (0.62) MGLLSMN1; SMN2NPC1RECQLRAB9A
SCHEMBL4337223 0.87 PPARG (0.53) FPR2MGLLPPARAMAPTTP53
SCHEMBL4341815 0.87 FPR2 (0.45) FPR2MGLLMTORPPARAIDH1
SCHEMBL4328095 0.85 MGLL (0.51) MGLLSMN1; SMN2NPC1RECQLRAB9A
SCHEMBL4336950 0.85 MGLL (0.51) MGLLSMN1; SMN2NPC1RECQLRAB9A
SCHEMBL4334130 0.83 LMNA (0.56) FPR2MGLLSMN1; SMN2NPC1RECQL
SCHEMBL4337850 0.81 PPARA (0.59) PPARA
SCHEMBL13810332 0.80 MGLL (0.55) FPR2MGLLMTORPPARASMN1; 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 3 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 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 FPR2 632/4885MGLL 3539/4885MTOR 2139/4885

“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.