SCHEMBL5397206

SCHEMBL5397206

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

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 8/20 0.50
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LPAR2 Q9HBW0 1/20 0.42
BCHE P06276 1/20 0.41
HPGD P15428 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL5402977 0.93 LPAR1 (0.47) LPAR1TP53THRBMEN1KMT2A
SCHEMBL5403150 0.92 LPAR1 (0.49) LPAR1MEN1KMT2ABCHEHPGD
SCHEMBL5401622 0.91 LPAR1 (0.53) LPAR1MEN1KMT2ALPAR2HPGD
SCHEMBL5397135 0.91 LPAR1 (0.42) LPAR1TP53THRBMEN1KMT2A
SCHEMBL5402261 0.90 KMT2A (0.50) LPAR1MEN1KMT2ABCHEHPGD
SCHEMBL5399062 0.90 TSHR (0.47) LPAR1TP53THRBMEN1KMT2A
SCHEMBL5406416 0.90 LPAR1 (0.54) LPAR1LPAR2
SCHEMBL5411854 0.87 TSHR (0.48) LPAR1TP53THRBMEN1KMT2A
SCHEMBL5409849 0.87 KMT2A (0.49) LPAR1TP53THRBMEN1KMT2A
SCHEMBL5397896 0.85 KMT2A (0.52) LPAR1TP53THRBMEN1KMT2A

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 17/4885TP53 32/4885THRB 2049/4885

“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.