SCHEMBL5405969

SCHEMBL5405969

COc1ccc(OC)c(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCc2ccccc2C)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
HPGD P15428 5/20 0.48
HTT P42858 3/20 0.48
GAA P10253 2/20 0.48
ALDH1A1 P00352 1/20 0.48
PKM P14618 1/20 0.48
MAPK8 P45983 1/20 0.47
RAB9A P51151 1/20 0.43
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
PPARA Q07869 1/20 0.41
PDE10A Q9Y233 1/20 0.41
TP53 P04637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL5399253 0.94 TAS1R3 (0.56) TAS1R3TAS1R1HPGDHTTGAA
SCHEMBL5394527 0.91 HPGD (0.50) TAS1R3TAS1R1HPGDHTTGAA
SCHEMBL4931349 0.91 TAS1R3 (0.50) TAS1R3TAS1R1HPGDHTTGAA
SCHEMBL5418470 0.91 TAS1R3 (0.50) TAS1R3TAS1R1HPGDHTTGAA
SCHEMBL5403729 0.91 RAB9A (0.52) TAS1R3TAS1R1HPGDHTTGAA
SCHEMBL4925143 0.90 TAS1R3 (0.50) TAS1R3TAS1R1HPGDHTTGAA
SCHEMBL5402295 0.89 HPGD (0.53) TAS1R3TAS1R1HPGDHTTGAA
SCHEMBL5406006 0.89 TAS1R3 (0.49) TAS1R3TAS1R1HPGDHTTGAA
SCHEMBL4931263 0.89 TAS1R3 (0.48) TAS1R3TAS1R1HPGDHTTGAA
SCHEMBL5393968 0.88 RAB9A (0.60) TAS1R3TAS1R1HPGDHTTGAA

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 TAS1R3 4642/4885TAS1R1 4377/4885HPGD 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.