SCHEMBL5409762

SCHEMBL5409762

COc1cccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)N(C)c2ccc(C)o2)c1OC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
HPGD P15428 2/20 0.37
CTSG P08311 1/20 0.36
CMA1 P23946 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LPAR1 Q92633 2/20 0.35
HIF1A Q16665 1/20 0.35
BCHE P06276 1/20 0.34
ATM Q13315 1/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL5398272 0.88 ALDH1A1 (0.40) MEN1KMT2ACTSGCMA1NPC1
SCHEMBL5409768 0.85 HPGD (0.39) HPGDNPC1RAB9APKMTSHR
SCHEMBL5408657 0.83 RAB9A (0.42) MEN1KMT2ARAB9ALPAR1TSHR
SCHEMBL5401055 0.83 ALDH1A1 (0.41) MEN1KMT2ACTSGCMA1HIF1A
SCHEMBL5409459 0.83 KDM4E (0.39) MEN1KMT2ACTSGCMA1BCHE
SCHEMBL5405939 0.83 MEN1 (0.37) MEN1KMT2AHPGDCTSGCMA1
SCHEMBL5402546 0.82 KMT2A (0.47) MEN1KMT2AHPGDCTSGCMA1
SCHEMBL5405706 0.81 POLB (0.40) MEN1KMT2ACTSGCMA1LPAR1
SCHEMBL5409603 0.81 TDP1 (0.36) KMT2ALPAR1
SCHEMBL5402977 0.81 LPAR1 (0.47) MEN1KMT2ACTSGCMA1LPAR1

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 MEN1 891/4885KMT2A 2451/4885HPGD 1078/4885

“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.