SCHEMBL4925833

SCHEMBL4925833

COc1ccc(OC)c(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCc2ccc(C(C)(C)C)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.47
PPARG P37231 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
RAB9A P51151 2/20 0.45
EPHX2 P34913 2/20 0.45
NR1H4 Q96RI1 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPK8 P45983 1/20 0.42
HTT P42858 2/20 0.42
PPARD Q03181 1/20 0.42
CAPN1 P07384 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 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
SCHEMBL4925143 0.94 TAS1R3 (0.50) PPARAPPARGTAS1R3TAS1R1RAB9A
SCHEMBL5403729 0.93 RAB9A (0.52) PPARAPPARGTAS1R3TAS1R1RAB9A
SCHEMBL4931263 0.91 TAS1R3 (0.48) PPARAPPARGTAS1R3TAS1R1RAB9A
SCHEMBL5414179 0.91 HPGD (0.46) PPARAPPARGRAB9AEPHX2NR1H4
SCHEMBL4930254 0.90 TAS1R3 (0.47) PPARAPPARGTAS1R3TAS1R1RAB9A
SCHEMBL4929811 0.90 TAS1R3 (0.47) PPARAPPARGTAS1R3TAS1R1RAB9A
SCHEMBL5405685 0.89 EPHX2 (0.53) PPARAPPARGRAB9AEPHX2NR1H4
SCHEMBL5393968 0.89 RAB9A (0.60) PPARAPPARGTAS1R3TAS1R1RAB9A
SCHEMBL5399031 0.89 PPARA (0.51) PPARAPPARGEPHX2NR1H4MEN1
SCHEMBL5403427 0.88 RAB9A (0.56) PPARAPPARGRAB9AEPHX2NR1H4

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 PPARA 195/4885PPARG 467/4885TAS1R3 4642/4885
US-20080064731-A1 REMEDY FOR CHRONIC DISEASE EDNRA, EDNRB, LPAR2 PPARA 260/4885PPARG 269/4885TAS1R3 3506/4885
US-20060135577-A1 Remedy for chronic disease EDNRA, EDNRB, LPAR2 PPARA 260/4885PPARG 269/4885TAS1R3 3506/4885

“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.