SCHEMBL5401622

SCHEMBL5401622

COc1ccccc1CCN(CCC(=O)O)C(=O)c1ccccc1-c1ccccc1C(=O)N(CCO)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 12/20 0.53
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
LPAR2 Q9HBW0 1/20 0.43
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
LPAR5 Q9H1C0 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
SCHEMBL5409338 0.93 LPAR1 (0.50) LPAR1KMT2AMEN1LPAR2POLB
SCHEMBL5397206 0.91 LPAR1 (0.50) LPAR1KMT2AMEN1LPAR2HPGD
SCHEMBL5403150 0.91 LPAR1 (0.49) LPAR1KMT2AMEN1HPGDLPAR5
SCHEMBL5407075 0.90 LPAR1 (0.45) LPAR1MAPT
SCHEMBL5406416 0.90 LPAR1 (0.54) LPAR1LPAR2MAPTLPAR5
SCHEMBL5397226 0.90 LPAR1 (0.47) LPAR1KMT2AMEN1POLBGAA
SCHEMBL5402261 0.89 KMT2A (0.50) LPAR1KMT2AMEN1GAAHPGD
SCHEMBL5409458 0.87 TSHR (0.46) LPAR1KMT2AMEN1
SCHEMBL5409482 0.87 LPAR1 (0.54) LPAR1KMT2AMEN1LPAR2
SCHEMBL5395687 0.85 LPAR1 (0.50) LPAR1KMT2AMEN1GAA

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 17/4885KMT2A 2451/4885MEN1 891/4885

“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.