SCHEMBL5403150

SCHEMBL5403150

CCN(Cc1ccccc1)C(=O)c1ccccc1-c1ccccc1C(=O)N(CCC(=O)O)CCc1ccccc1OC

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
LPAR5 Q9H1C0 1/20 0.44
BCHE P06276 1/20 0.44
PPARG P37231 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
HPGD P15428 1/20 0.43
MBTPS1 Q14703 3/20 0.42
F10 P00742 1/20 0.42
PLAU P00749 1/20 0.42

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
SCHEMBL5394210 0.92 LPAR1 (0.46) LPAR1MEN1KMT2ATSHRMAPK1
SCHEMBL5397206 0.92 LPAR1 (0.50) LPAR1MEN1KMT2ABCHEHPGD
SCHEMBL5406416 0.91 LPAR1 (0.54) LPAR1LPAR5CYP1A2CYP3A4CYP2D6
SCHEMBL5401622 0.91 LPAR1 (0.53) LPAR1MEN1KMT2ALPAR5HPGD
SCHEMBL5402410 0.91 TSHR (0.46) LPAR1MEN1KMT2ATSHRMAPK1
SCHEMBL5402261 0.90 KMT2A (0.50) LPAR1MEN1KMT2ABCHEHPGD
SCHEMBL5411971 0.90 MEN1 (0.47) LPAR1MEN1KMT2ATSHRMAPK1
SCHEMBL5405324 0.87 TSHR (0.59) MEN1KMT2ATSHRMAPK1PPARG
SCHEMBL5412254 0.86 LPAR1 (0.51) LPAR1MEN1KMT2ATSHRMAPK1
SCHEMBL5392691 0.86 TSHR (0.56) LPAR1MEN1KMT2ATSHRMAPK1

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 17/4885MEN1 891/4885KMT2A 2451/4885

“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.