SCHEMBL21881591

SCHEMBL21881591

O=C(O)[C@@H](Oc1ccc(F)cc1F)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.74
PPARG P37231 5/20 0.74
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
KEAP1 Q14145 3/20 0.46
NFE2L2 Q16236 3/20 0.46
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 1/20 0.42
IDO1 P14902 1/20 0.41
TDO2 P48775 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
SCHEMBL21881179 0.87 PPARA (0.68) PPARAPPARGSLC6A2SLC6A4SLC6A3
SCHEMBL21881505 0.81 PPARA (0.56) PPARAPPARGKDM4EALDH1A1
SCHEMBL185100 0.78 GCK (0.66) PPARAPPARGKEAP1NFE2L2
SCHEMBL13523132 0.77 PPARA (0.53) PPARAPPARGKEAP1NFE2L2MAPT
SCHEMBL21881189 0.77 PPARG (0.55) PPARAPPARGSLC6A4KEAP1NFE2L2
SCHEMBL184891 0.77 GCK (0.49) PPARAPPARGMEN1MAPTKMT2A
SCHEMBL185232 0.77 GCK (0.47) PPARAPPARGMEN1MAPTKMT2A
SCHEMBL185307 0.76 GCK (0.58) PPARAPPARGMAPTKMT2A
SCHEMBL184988 0.76 GCK (0.60) PPARAPPARGMAPTKMT2AL3MBTL1
SCHEMBL19921743 0.76 GCK (0.51) PPARAPPARGMEN1MAPTKMT2A

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-11021445-B2 Carboxylic acid derivative as AT2R receptor antagonist SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2021-06-01 US disclosed
EP-3620454-B1 CARBOXYLIC ACID DERIVATIVE AS AT2R RECEPTOR ANTAGONIST SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2021-05-05 EP disclosed
US-20200102275-A1 CARBOXYLIC ACID DERIVATIVE AS AT2R RECEPTOR ANTAGONIST SHANDONG DANHONG PHARMACEUTICAL CO., LTD. 2020-04-02 US 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 (2 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-20200102275-A1 CARBOXYLIC ACID DERIVATIVE AS AT2R RECEPTOR ANTAGONIST AGTR2, AGTR1, HCAR2 PPARA 294/4885PPARG 232/4885SLC6A2 352/4885
US-11021445-B2 Carboxylic acid derivative as AT2R receptor antagonist AGTR2, AGTR1, HCAR2 PPARA 294/4885PPARG 232/4885SLC6A2 352/4885

“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.