SCHEMBL5401283

SCHEMBL5401283

O=C(O)CCN(CCc1cccs1)C(=O)c1ccccc1-c1ccccc1C(=O)NCc1ccco1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.53
HPGD P15428 9/20 0.49
TSHR P16473 5/20 0.48
GAA P10253 5/20 0.48
ALDH1A1 P00352 7/20 0.47
HSD17B10 Q99714 3/20 0.47
HTT P42858 2/20 0.47
KDM4E B2RXH2 1/20 0.45
GLA P06280 1/20 0.45
THRB P10828 1/20 0.45
POLB P06746 3/20 0.45
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PKM P14618 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SGMS2 Q8NHU3 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL5409198 0.89 HPGD (0.51) HPGDTSHRALDH1A1HSD17B10HTT
SCHEMBL5399064 0.88 HPGD (0.48) HPGDTSHRGAAALDH1A1HTT
SCHEMBL5392386 0.85 NPSR1 (0.53) NPSR1HPGDTSHRGAAALDH1A1
SCHEMBL5407122 0.84 HPGD (0.49) HPGDTSHRGAAALDH1A1HSD17B10
SCHEMBL5392399 0.83 HPGD (0.49) HPGDALDH1A1HTTPOLBMAPT
SCHEMBL5409493 0.83 L3MBTL1 (0.46) HPGDALDH1A1HTTKDM4EPOLB
SCHEMBL5409376 0.83 POLB (0.49) NPSR1HPGDTSHRGAAALDH1A1
SCHEMBL5414038 0.83 POLB (0.51) HPGDTSHRGAAALDH1A1HSD17B10
SCHEMBL5392088 0.83 HPGD (0.49) HPGDALDH1A1HSD17B10KDM4EPOLB
SCHEMBL5402948 0.83 HPGD (0.51) HPGDTSHRALDH1A1HTTKDM4E

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 NPSR1 171/4885HPGD 1078/4885TSHR 3382/4885

“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.