SCHEMBL5407075

SCHEMBL5407075

CCOc1ccccc1CCN(CCC(=O)O)C(=O)c1ccccc1-c1ccccc1C(=O)N(CCO)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 6/20 0.45
LTB4R2 Q9NPC1 3/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ABCB1 P08183 2/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38

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
SCHEMBL5402410 0.92 TSHR (0.46) LPAR1LTB4R2ALDH1A1ABCB1MAPT
SCHEMBL5397135 0.92 LPAR1 (0.42) LPAR1ABCB1MAPTTHRBHCRTR1
SCHEMBL5401293 0.92 LTB4R2 (0.48) LPAR1LTB4R2MAPT
SCHEMBL5401622 0.90 LPAR1 (0.53) LPAR1MAPT
SCHEMBL5403464 0.90 KMT2A (0.48) LPAR1ALDH1A1MAPTTHRB
SCHEMBL5409294 0.86 FFAR1 (0.48) LPAR1LTB4R2L3MBTL1FFAR1FFAR4
SCHEMBL5409458 0.85 TSHR (0.46) LPAR1ALDH1A1L3MBTL1
SCHEMBL5409338 0.85 LPAR1 (0.50) LPAR1ALDH1A1MAPT
SCHEMBL5394661 0.85 NPSR1 (0.47) ALDH1A1L3MBTL1MAPTHCRTR1
SCHEMBL5398686 0.85 LPAR1 (0.49) LPAR1LTB4R2L3MBTL1

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 17/4885LTB4R2 329/4885ALDH1A1 1256/4885

“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.