SCHEMBL5403463

SCHEMBL5403463

CCOc1cc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)N(CCO)Cc2ccccc2)ccc1OC

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 8/20 0.49
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
F7 P08709 1/20 0.44
RAF1 P04049 1/20 0.44
MAP2K1 Q02750 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
APP P05067 1/20 0.43
LPAR2 Q9HBW0 1/20 0.42
ACHE P22303 1/20 0.41

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
SCHEMBL5398686 0.97 LPAR1 (0.49) LPAR1F2F10F7RAF1
SCHEMBL5409482 0.94 LPAR1 (0.54) LPAR1F2F10F7RAF1
SCHEMBL5394194 0.93 APP (0.48) LPAR1F2F10F7RAF1
SCHEMBL5398924 0.92 LPAR1 (0.46) LPAR1F2F10F7RAF1
SCHEMBL5403994 0.92 LPAR1 (0.50) LPAR1F2F10F7RAF1
SCHEMBL5403971 0.90 POLB (0.49) LPAR1L3MBTL1APP
SCHEMBL5402879 0.90 APP (0.53) LPAR1F2F10F7RAF1
SCHEMBL5401488 0.89 LPAR1 (0.50) LPAR1RAF1MAP2K1APPLPAR2
SCHEMBL5399033 0.89 APP (0.48) LPAR1F2F10F7RAF1
SCHEMBL5392479 0.88 MEN1 (0.42) LPAR1F2F10F7RAF1

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 17/4885F2 523/4885F10 2392/4885

“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.