SCHEMBL4333236

SCHEMBL4333236

COc1ccc(NC(=O)OCCn2cc(CC(OC(C)C)C(=O)O)c3ccccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
LMNA P02545 2/20 0.45
TP53 P04637 2/20 0.45
KCNA5 P22460 4/20 0.43
KCNH2 Q12809 2/20 0.43
CNR2 P34972 1/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL4333072 0.90 MCL1 (0.41) MEN1KMT2ALMNAKCNA5KCNH2
SCHEMBL4341303 0.89 KMT2A (0.43) MEN1KMT2ALMNATP53MAPT
SCHEMBL4335807 0.88 ADAM17 (0.40) MEN1KMT2ATP53CNR2MAPT
SCHEMBL4341814 0.84 MAPT (0.48) MEN1KMT2ALMNACNR2MAPT
SCHEMBL4335595 0.82 MAPT (0.45) MEN1KMT2ALMNATP53CNR2
SCHEMBL13819394 0.81 CHRM1 (0.56) KMT2ALMNASMN1; SMN2POLB
SCHEMBL4336953 0.79 ADAM17 (0.46) MEN1KMT2AMAPT
SCHEMBL4335160 0.79 LMNA (0.48) LMNATP53MAPTSMN1; SMN2NPC1
SCHEMBL4329377 0.79 PPARG (0.39) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL4343604 0.75 LMNA (0.51) KMT2ALMNATP53SMN1; SMN2POLB

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 5 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-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 MEN1 4091/4885KMT2A 2774/4885LMNA 3790/4885

“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.