SCHEMBL5404088

SCHEMBL5404088

CCCCN(Cc1ccccc1)C(=O)c1ccccc1-c1ccccc1C(=O)N(CCC(=O)O)CCc1cccc(OCC)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 5/20 0.47
PPARA Q07869 2/20 0.45
PPARG P37231 1/20 0.45
LPAR1 Q92633 5/20 0.45
CYP2D6 P10635 2/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.44
LTB4R Q15722 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.41
PTGIR P43119 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
SCHEMBL5411801 0.92 LPAR1 (0.54) LTB4R2LPAR1PTGDR2
SCHEMBL5395527 0.92 LPAR1 (0.43) LTB4R2PPARAPPARGLPAR1PTGDR2
SCHEMBL5402519 0.92 PPARG (0.47) LTB4R2PPARAPPARGLPAR1CYP2D6
SCHEMBL5414873 0.91 LTB4R (0.45) LTB4R2PPARGLPAR1CYP2D6PTGDR2
SCHEMBL5414300 0.91 LTB4R2 (0.53) LTB4R2LPAR1LTB4R
SCHEMBL5409406 0.89 LTB4R (0.48) LTB4R2PPARAPPARGCYP2D6LTB4R
SCHEMBL5398871 0.87 LTB4R2 (0.56) LTB4R2LPAR1PKM
SCHEMBL5394549 0.87 LPAR1 (0.54) LTB4R2LPAR1
SCHEMBL5403994 0.86 LPAR1 (0.50) LTB4R2LPAR1
SCHEMBL5401488 0.86 LPAR1 (0.50) LTB4R2LPAR1

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 LTB4R2 329/4885PPARA 195/4885PPARG 467/4885

“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.