SCHEMBL4333321

SCHEMBL4333321

O=C(Nc1ccc(C(F)(F)F)cc1)OCc1cccc(CC(C(=O)O)C(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.60
FPR2 P25090 1/20 0.53
POLB P06746 2/20 0.48
BAZ1A Q9NRL2 1/20 0.47
SLC1A3 P43003 2/20 0.47
SLC1A2 P43004 2/20 0.47
SLC1A1 P43005 2/20 0.47
MTOR P42345 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PPARA Q07869 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
EPHX2 P34913 1/20 0.44
PPIA P62937 1/20 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
SCHEMBL13810332 0.91 MGLL (0.55) MGLLFPR2POLBBAZ1AMTOR
SCHEMBL4336281 0.89 FPR2 (0.51) MGLLFPR2POLBBAZ1AMTOR
SCHEMBL4341257 0.86 MGLL (0.60) MGLLPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL4328261 0.86 MGLL (0.53) MGLLFPR2POLBBAZ1ASLC1A3
SCHEMBL4341927 0.84 MEN1 (0.53) MGLLPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL4338093 0.84 MEN1 (0.56) MGLLPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL4333325 0.82 FPR2 (0.54) MGLLFPR2POLBMEN1KMT2A
SCHEMBL4334763 0.81 PPARA (0.61) PPARA
SCHEMBL4329894 0.80 MGLL (0.49) MGLLFPR2BAZ1ASLC1A3SLC1A2
SCHEMBL13810358 0.80 MGLL (0.46) MGLLFPR2POLBBAZ1AMTOR

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 MGLL 3539/4885FPR2 632/4885POLB 3622/4885

“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.