SCHEMBL5409294

SCHEMBL5409294

CCOc1ccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)N(CCO)Cc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
LPAR1 Q92633 10/20 0.47
LTB4R2 Q9NPC1 4/20 0.45
LPAR5 Q9H1C0 3/20 0.45
LTB4R Q15722 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX12 P18054 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL5400923 0.92 PPARG (0.48) FFAR1FFAR4LPAR1LTB4R2LPAR5
SCHEMBL5400875 0.91 LTB4R2 (0.45) FFAR1FFAR4LPAR1LTB4R2LPAR5
SCHEMBL5414300 0.91 LTB4R2 (0.53) FFAR1FFAR4LPAR1LTB4R2LTB4R
SCHEMBL5395527 0.91 LPAR1 (0.43) LPAR1LTB4R2LPAR5LTB4RMEN1
SCHEMBL5418587 0.90 LPAR1 (0.58) LPAR1LPAR5MEN1KMT2A
SCHEMBL5402294 0.89 LTB4R (0.49) FFAR1FFAR4LTB4R2LTB4RCYP1A2
SCHEMBL5395687 0.89 LPAR1 (0.50) LPAR1L3MBTL1MEN1KMT2A
SCHEMBL5406272 0.87 LPAR1 (0.49) LPAR1LTB4R2MEN1KMT2A
SCHEMBL5407075 0.86 LPAR1 (0.45) FFAR1FFAR4LPAR1LTB4R2L3MBTL1
SCHEMBL5398686 0.86 LPAR1 (0.49) LPAR1LTB4R2LTB4RL3MBTL1

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 FFAR1 65/4885FFAR4 187/4885LPAR1 17/4885

“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.