SCHEMBL4931349

SCHEMBL4931349

COc1ccc(OC)c(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCc2ccccc2Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
ALDH1A1 P00352 3/20 0.47
HTT P42858 2/20 0.47
HPGD P15428 2/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
MAPK8 P45983 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
RAB9A P51151 1/20 0.43
PPARA Q07869 1/20 0.42
NPC1 O15118 1/20 0.42
HCRTR2 O43614 1/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
TP53 P04637 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
SCHEMBL5399253 0.93 TAS1R3 (0.56) TAS1R3TAS1R1ALDH1A1HTTHPGD
SCHEMBL5406253 0.91 ALDH1A1 (0.49) TAS1R3TAS1R1ALDH1A1HTTHPGD
SCHEMBL5405969 0.91 TAS1R3 (0.51) TAS1R3TAS1R1ALDH1A1HTTHPGD
SCHEMBL5418470 0.90 TAS1R3 (0.50) TAS1R3TAS1R1ALDH1A1HTTHPGD
SCHEMBL5403729 0.90 RAB9A (0.52) TAS1R3TAS1R1ALDH1A1HTTHPGD
SCHEMBL4930254 0.89 TAS1R3 (0.47) TAS1R3TAS1R1ALDH1A1HTTHPGD
SCHEMBL4925143 0.89 TAS1R3 (0.50) TAS1R3TAS1R1ALDH1A1HTTHPGD
SCHEMBL5406006 0.89 TAS1R3 (0.49) TAS1R3TAS1R1ALDH1A1HTTHPGD
SCHEMBL5405807 0.88 MAPK8 (0.50) TAS1R3TAS1R1ALDH1A1MAPK8L3MBTL1
SCHEMBL4934241 0.88 RAB9A (0.52) TAS1R3TAS1R1ALDH1A1HTTHPGD

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064731-A1 REMEDY FOR CHRONIC DISEASE ONO PHARMACEUTICAL CO.,LTD. 2008-03-13 US disclosed
US-7300917-B2 Remedy for chronic disease ONO PHARMACEUTICALS CO., LTD. (JP) 2007-11-27 US disclosed
US-7285680-B2 β-alanine derivatives and the use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-10-23 US disclosed
US-20060135577-A1 Remedy for chronic disease ONO PHARMACEUTICAL CO., LTD. (JP) 2006-06-22 US disclosed
US-20050256160-A1 Beta-alanine derivatives and the use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2005-11-17 US disclosed
EP-1550461-A1 REMEDY FOR CHRONIC DISEASE ONO PHARMACEUTICAL CO., LTD. (JP) 2005-07-06 EP 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 (3 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 4377/4885ALDH1A1 1256/4885
US-20080064731-A1 REMEDY FOR CHRONIC DISEASE EDNRA, EDNRB, LPAR2 TAS1R3 3506/4885TAS1R1 3743/4885ALDH1A1 1978/4885
US-20060135577-A1 Remedy for chronic disease EDNRA, EDNRB, LPAR2 TAS1R3 3506/4885TAS1R1 3743/4885ALDH1A1 1978/4885

“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.