SCHEMBL5402535

SCHEMBL5402535

CCOc1ccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCc2ccco2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.52
TP53 P04637 5/20 0.52
ALDH1A1 P00352 4/20 0.52
POLB P06746 3/20 0.52
HSD17B10 Q99714 2/20 0.52
MAPT P10636 3/20 0.52
TSHR P16473 2/20 0.52
NPSR1 Q6W5P4 1/20 0.49
SGMS2 Q8NHU3 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
CYP2C9 P11712 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.42
HTT P42858 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
SCHEMBL5402213 0.91 ALDH1A1 (0.55) HPGDTP53ALDH1A1POLBHSD17B10
SCHEMBL5414358 0.91 HPGD (0.49) HPGDTP53ALDH1A1POLBHSD17B10
SCHEMBL5392184 0.89 MEN1 (0.47) HPGDTP53ALDH1A1POLBMAPT
SCHEMBL5417112 0.87 L3MBTL1 (0.54) HPGDTP53ALDH1A1POLBHSD17B10
SCHEMBL5402778 0.87 TSHR (0.52) HPGDTP53ALDH1A1POLBHSD17B10
SCHEMBL5414383 0.86 MAPT (0.59) HPGDTP53ALDH1A1POLBHSD17B10
SCHEMBL4933196 0.86 TP53 (0.48) HPGDTP53ALDH1A1MAPTSMN1; SMN2
SCHEMBL5407025 0.86 FFAR1 (0.47) TP53ALDH1A1MAPTNPSR1SMN1; SMN2
SCHEMBL5399044 0.85 NPSR1 (0.50) HPGDTP53ALDH1A1POLBHSD17B10
SCHEMBL4930170 0.85 TP53 (0.47) HPGDTP53ALDH1A1POLBSMN1; SMN2

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 HPGD 1078/4885TP53 32/4885ALDH1A1 1256/4885

“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.