SCHEMBL4329901

SCHEMBL4329901

O=C(Nc1ccccc1Cl)OCc1cccc(CC(C(=O)O)C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
CASP3 P42574 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
MGLL Q99685 1/20 0.45
PLAU P00749 1/20 0.45
PTPN1 P18031 1/20 0.45
MAPT P10636 2/20 0.44
HPGD P15428 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.43
PTPN7 P35236 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
HTT P42858 1/20 0.43
DUSP3 P51452 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
SCHEMBL13810351 0.91 MEN1 (0.53) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL4339712 0.88 SMN1; SMN2 (0.49) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL4341692 0.88 OPRK1 (0.53) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL3782118 0.84 NPC1 (0.68) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL30207803 0.84 NPC1 (0.68) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL4341257 0.83 MGLL (0.60) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4341927 0.81 MEN1 (0.53) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4348471 0.81 LDHA (0.49) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL4341342 0.81 MGLL (0.54) MEN1KMT2ANPC1RAB9AMGLL
SCHEMBL4335057 0.80 KDM4E (0.44) MEN1KMT2ANPC1RAB9ASMN1; 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 MEN1 4091/4885KMT2A 2774/4885NPC1 603/4885

“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.