SCHEMBL5397135

SCHEMBL5397135

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.42
THRB P10828 2/20 0.40
MAPT P10636 1/20 0.40
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
LIMK2 P53671 1/20 0.39
TP53 P04637 1/20 0.38
ABCB1 P08183 2/20 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 0.93 TSHR (0.46) LPAR1THRBMAPTHCRTR1HCRTR2
SCHEMBL5407075 0.92 LPAR1 (0.45) LPAR1THRBMAPTHCRTR1HCRTR2
SCHEMBL5401293 0.91 LTB4R2 (0.48) LPAR1MAPTLIMK2
SCHEMBL5403464 0.91 KMT2A (0.48) LPAR1THRBMAPTMEN1KMT2A
SCHEMBL5397206 0.91 LPAR1 (0.50) LPAR1THRBMEN1KMT2ATP53
SCHEMBL5400875 0.86 LTB4R2 (0.45) LPAR1THRBMAPTMEN1KMT2A
SCHEMBL5411854 0.85 TSHR (0.48) LPAR1THRBMEN1KMT2ATSHR
SCHEMBL5402977 0.85 LPAR1 (0.47) LPAR1THRBMAPTMEN1KMT2A
SCHEMBL5409849 0.85 KMT2A (0.49) LPAR1THRBMAPTMEN1KMT2A
SCHEMBL5399033 0.85 APP (0.48) LPAR1MEN1KMT2A

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 17/4885THRB 2049/4885MAPT 457/4885

“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.