SCHEMBL5402879

SCHEMBL5402879

CCOc1ccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)N(CC)Cc2ccccc2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.53
RAF1 P04049 2/20 0.47
MAP2K1 Q02750 2/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
LPAR1 Q92633 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
PPARG P37231 1/20 0.44
POLB P06746 1/20 0.44
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
F7 P08709 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
CALM1 P0DP23 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
SCHEMBL5394194 0.96 APP (0.48) APPRAF1MAP2K1MEN1KMT2A
SCHEMBL5412254 0.94 LPAR1 (0.51) APPRAF1MAP2K1MEN1KMT2A
SCHEMBL5399033 0.94 APP (0.48) APPRAF1MAP2K1MEN1KMT2A
SCHEMBL5398686 0.93 LPAR1 (0.49) APPRAF1MAP2K1LPAR1L3MBTL1
SCHEMBL5401488 0.92 LPAR1 (0.50) APPRAF1MAP2K1LPAR1
SCHEMBL5406787 0.92 POLB (0.54) APPRAF1MAP2K1MEN1KMT2A
SCHEMBL5398924 0.91 LPAR1 (0.46) APPRAF1MAP2K1MEN1KMT2A
SCHEMBL5403463 0.90 LPAR1 (0.49) APPRAF1MAP2K1LPAR1L3MBTL1
SCHEMBL5403994 0.89 LPAR1 (0.50) RAF1MAP2K1LPAR1F2F10
SCHEMBL5403971 0.89 POLB (0.49) APPMEN1KMT2ALPAR1L3MBTL1

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-7285680-B2 β-alanine derivatives and the use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-10-23 US disclosed
US-20050256160-A1 Beta-alanine derivatives and the use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2005-11-17 US disclosed
EP-1533294-A1 BETA-ALANINE DERIVATIVE AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2005-05-25 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-20050256160-A1 Beta-alanine derivatives and the use thereof TGFB1, PML, APOB APP 12/4885RAF1 1038/4885MAP2K1 2098/4885

“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.