SCHEMBL5409482

SCHEMBL5409482

COc1ccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)N(CCO)Cc2ccccc2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 10/20 0.54
L3MBTL1 Q9Y468 1/20 0.49
F2 P00734 1/20 0.49
F10 P00742 1/20 0.49
F7 P08709 1/20 0.49
ACHE P22303 2/20 0.47
RAF1 P04049 1/20 0.47
MAP2K1 Q02750 1/20 0.47
LPAR2 Q9HBW0 1/20 0.46
PLAAT3 P53816 1/20 0.45
PLAAT5 Q96KN8 1/20 0.45
PLAAT2 Q9NWW9 1/20 0.45
PLAAT4 Q9UL19 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
BCHE P06276 1/20 0.44

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 0.94 LPAR1 (0.49) LPAR1L3MBTL1F2F10F7
SCHEMBL5403463 0.94 LPAR1 (0.49) LPAR1L3MBTL1F2F10F7
SCHEMBL5412254 0.91 LPAR1 (0.51) LPAR1L3MBTL1F2F10F7
SCHEMBL5394574 0.91 LPAR1 (0.55) LPAR1L3MBTL1F2F10F7
SCHEMBL5397879 0.90 L3MBTL1 (0.50) LPAR1L3MBTL1F2F10F7
SCHEMBL5401485 0.88 LPAR1 (0.53) LPAR1KMT2AMEN1
SCHEMBL5418587 0.87 LPAR1 (0.58) LPAR1KMT2AMEN1
SCHEMBL5401622 0.87 LPAR1 (0.53) LPAR1LPAR2KMT2AMEN1
SCHEMBL5418271 0.87 LPAR1 (0.53) LPAR1KMT2AMEN1
SCHEMBL5402879 0.86 APP (0.53) LPAR1L3MBTL1F2F10F7

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 17/4885L3MBTL1 1016/4885F2 523/4885

“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.