SCHEMBL21881189

SCHEMBL21881189

O=C(O)[C@@H](Oc1ccc(F)cc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.55
PPARA Q07869 3/20 0.55
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
SLC6A4 P31645 1/20 0.45
PTPN1 P18031 1/20 0.45
GAA P10253 2/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
CHRM1 P11229 1/20 0.44
F9 P00740 1/20 0.44
F10 P00742 1/20 0.44

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
SCHEMBL1565056 0.93 PPARG (0.51) PPARGPPARAALDH1A1KDM4EGAA
SCHEMBL1564868 0.93 PPARG (0.50) PPARGPPARAALDH1A1KDM4EGAA
SCHEMBL13324879 0.87 KDM4E (0.55) PPARGPPARAALDH1A1KDM4EPTPN1
SCHEMBL21881586 0.87 KDM4E (0.55) PPARGPPARAALDH1A1KDM4EPTPN1
SCHEMBL660871 0.87 KDM4E (0.55) PPARGPPARAALDH1A1KDM4EPTPN1
SCHEMBL27568653 0.86 PPARG (0.49) PPARGPPARAALDH1A1SLC6A4GAA
Hydrogen Sulfide SCHEMBL28780976 0.85 KDM4E (0.54) PPARGPPARAALDH1A1KDM4EPTPN1
SCHEMBL1566701 0.85 LDHA (0.54) PPARGPPARAALDH1A1KDM4EMEN1
SCHEMBL1565097 0.85 PPARG (0.60) PPARGPPARAMEN1KMT2A
SCHEMBL1564837 0.85 PPARG (0.44) PPARGPPARAALDH1A1KDM4EHPGD

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 PPARG 232/4885PPARA 294/4885ALDH1A1 493/4885
US-11021445-B2 Carboxylic acid derivative as AT2R receptor antagonist AGTR2, AGTR1, HCAR2 PPARG 232/4885PPARA 294/4885ALDH1A1 493/4885

“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.