SCHEMBL4339712

SCHEMBL4339712

O=C(Nc1ccccc1Cl)OCCc1cccc(CC(C(=O)O)C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
MGLL Q99685 1/20 0.47
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RECQL P46063 1/20 0.40
CASP3 P42574 1/20 0.40
LMNA P02545 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
SCHEMBL13810377 0.91 SMN1; SMN2 (0.50) SMN1; SMN2MGLLALDH1A1MEN1KMT2A
SCHEMBL4327937 0.89 MAPT (0.47) SMN1; SMN2MGLLALDH1A1MEN1KMT2A
SCHEMBL4329901 0.88 MEN1 (0.52) SMN1; SMN2MGLLALDH1A1MEN1KMT2A
SCHEMBL4339388 0.84 MGLL (0.62) SMN1; SMN2MGLLALDH1A1MEN1KMT2A
SCHEMBL4336950 0.82 MGLL (0.51) SMN1; SMN2MGLLMEN1KMT2ABCHE
SCHEMBL4336851 0.82 LDHA (0.47) SMN1; SMN2ALDH1A1MEN1KMT2ABCHE
SCHEMBL4341213 0.81 MEN1 (0.60) SMN1; SMN2MGLLALDH1A1MEN1KMT2A
SCHEMBL13810376 0.80 MAPT (0.48) SMN1; SMN2MGLLALDH1A1MEN1KMT2A
SCHEMBL4331674 0.80 RAB9A (0.49) SMN1; SMN2MGLLALDH1A1MEN1KMT2A
SCHEMBL13810351 0.79 MEN1 (0.53) SMN1; SMN2MGLLALDH1A1MEN1KMT2A

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 SMN1; SMN2 3054/4885MGLL 3539/4885ALDH1A1 844/4885

“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.