SCHEMBL20746210

SCHEMBL20746210

O=C(Nc1ccccc1F)c1ccc(-c2ccc(C(=O)C(F)(F)F)cc2)s1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.73
SMN1; SMN2 Q16637 4/20 0.73
ESRRG P62508 5/20 0.72
ESR1 P03372 3/20 0.72
ESR2 Q92731 1/20 0.64
PTPN11 Q06124 2/20 0.53
PTPN1 P18031 1/20 0.53
HDAC6 Q9UBN7 4/20 0.52
HDAC1 Q13547 2/20 0.52
MAPT P10636 3/20 0.52
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
PTPN2 P17706 1/20 0.51
HTT P42858 1/20 0.50
PPARG P37231 1/20 0.48
NCOA2 Q15596 1/20 0.48
NCOA1 Q15788 1/20 0.48

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
SCHEMBL20764246 0.91 TP53 (0.73) TP53SMN1; SMN2ESRRGESR1ESR2
SCHEMBL22312116 0.85 TP53 (0.76) TP53SMN1; SMN2ESRRGESR1ESR2
SCHEMBL20764035 0.84 ESRRG (1.00) TP53SMN1; SMN2ESRRGESR1ESR2
SCHEMBL20746422 0.81 TP53 (0.70) TP53SMN1; SMN2ESRRGESR1ESR2
SCHEMBL20764029 0.81 TP53 (0.81) TP53SMN1; SMN2ESRRGESR1ESR2
SCHEMBL20764272 0.81 ESRRG (0.80) TP53SMN1; SMN2ESRRGESR1ESR2
SCHEMBL20764268 0.81 TP53 (0.76) TP53SMN1; SMN2ESRRGESR1ESR2
SCHEMBL20764271 0.78 ESRRG (1.00) TP53SMN1; SMN2ESRRGESR1ESR2
SCHEMBL12496069 0.77 TP53 (0.73) TP53SMN1; SMN2ESRRGESR1ESR2
SCHEMBL12973037 0.73 HDAC6 (0.63) ESR1ESR2HDAC6HDAC1

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 6 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-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
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
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 TP53 2879/4885SMN1; SMN2 2915/4885ESRRG 4/4885
US-11795162-B2 Modulators of the estrogen-related receptor ESR2, GPER1, ESRRG TP53 3812/4885SMN1; SMN2 3963/4885ESRRG 3/4885

“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.