SCHEMBL20764271

SCHEMBL20764271

O=C(Nc1ccccc1F)c1ccc(-c2cccc(B(O)O)c2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 14/20 1.00
ESR1 P03372 8/20 1.00
ESR2 Q92731 5/20 1.00
TP53 P04637 3/20 0.75
SMN1; SMN2 Q16637 2/20 0.75
MAPT P10636 2/20 0.55
NPC1 O15118 1/20 0.50
PPARG P37231 1/20 0.50
RAB9A P51151 1/20 0.50
NCOA2 Q15596 1/20 0.50
NCOA1 Q15788 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
HTT P42858 1/20 0.49

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
SCHEMBL20764272 0.89 ESRRG (0.80) ESRRGESR1ESR2TP53SMN1; SMN2
SCHEMBL26727114 0.86 ESRRG (0.76) ESRRGESR1ESR2TP53SMN1; SMN2
SCHEMBL20764029 0.84 TP53 (0.81) ESRRGESR1ESR2TP53SMN1; SMN2
SCHEMBL20764280 0.82 ESRRG (1.00) ESRRGESR1ESR2TP53SMN1; SMN2
SCHEMBL12496069 0.81 TP53 (0.73) ESRRGESR1ESR2TP53SMN1; SMN2
SCHEMBL20764246 0.81 TP53 (0.73) ESRRGESR1ESR2TP53SMN1; SMN2
SCHEMBL20764035 0.80 ESRRG (1.00) ESRRGESR1ESR2TP53SMN1; SMN2
SCHEMBL22311183 0.80 ESRRG (1.00) ESRRGESR1ESR2TP53SMN1; SMN2
SCHEMBL20746210 0.78 TP53 (0.73) ESRRGESR1ESR2TP53SMN1; SMN2
SCHEMBL22312116 0.77 TP53 (0.76) ESRRGESR1ESR2TP53SMN1; SMN2

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-11795162-B2 Modulators of the estrogen-related receptor SAINT LOUIS UNIVERSITY (US) 2023-10-24 US disclosed
US-20200247792-A1 ERR INVERSE AGONISTS SAINT LOUIS UNIVERSITY (US) 2020-08-06 US disclosed
WO-2019036562-A1 ERR INVERSE AGONISTS SAINT LOUIS UNIVERSITY (US) 2019-02-21 WO 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-20200247792-A1 ERR INVERSE AGONISTS ESRRA, ESRRB, ESR2 ESRRG 4/4885ESR1 6/4885ESR2 3/4885
US-11795162-B2 Modulators of the estrogen-related receptor ESR2, GPER1, ESRRG ESRRG 3/4885ESR1 4/4885ESR2 1/4885

“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.