SCHEMBL5398686

SCHEMBL5398686

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 7/20 0.49
RAF1 P04049 3/20 0.47
MAP2K1 Q02750 3/20 0.47
APP P05067 1/20 0.47
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
F7 P08709 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
LPAR2 Q9HBW0 1/20 0.42
POLB P06746 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42

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
SCHEMBL5403463 0.97 LPAR1 (0.49) LPAR1RAF1MAP2K1APPF2
SCHEMBL5409482 0.94 LPAR1 (0.54) LPAR1RAF1MAP2K1F2F10
SCHEMBL5402879 0.93 APP (0.53) LPAR1RAF1MAP2K1APPF2
SCHEMBL5401488 0.92 LPAR1 (0.50) LPAR1RAF1MAP2K1APPLPAR2
SCHEMBL5399033 0.92 APP (0.48) LPAR1RAF1MAP2K1APPF2
SCHEMBL5406787 0.90 POLB (0.54) LPAR1RAF1MAP2K1APPL3MBTL1
SCHEMBL5394194 0.90 APP (0.48) LPAR1RAF1MAP2K1APPF2
SCHEMBL5398924 0.89 LPAR1 (0.46) LPAR1RAF1MAP2K1APPF2
SCHEMBL5403994 0.89 LPAR1 (0.50) LPAR1RAF1MAP2K1F2F10
SCHEMBL5412254 0.87 LPAR1 (0.51) LPAR1RAF1MAP2K1APPF2

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 LPAR1 17/4885RAF1 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.