SCHEMBL20764231

SCHEMBL20764231

Nc1cccc(-c2ccc(C(=O)Nc3cccc(F)c3)s2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 15/20 1.00
ESR1 P03372 8/20 1.00
ESR2 Q92731 5/20 1.00
MAPT P10636 3/20 0.79
TP53 P04637 2/20 0.79
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
PPARG P37231 1/20 0.59
NCOA2 Q15596 1/20 0.59
NCOA1 Q15788 1/20 0.59
NCOA3 Q9Y6Q9 1/20 0.59
RXFP1 Q9HBX9 1/20 0.57
HPGDS O60760 1/20 0.57

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
SCHEMBL20764013 0.87 NPC1 (0.78) ESRRGESR1ESR2MAPTTP53
SCHEMBL20764036 0.86 ESRRG (1.00) ESRRGESR1ESR2MAPTTP53
SCHEMBL20764280 0.84 ESRRG (1.00) ESRRGESR1ESR2MAPTTP53
SCHEMBL20764010 0.84 ESRRG (0.91) ESRRGESR1ESR2MAPTTP53
SCHEMBL20746251 0.84 ESRRG (1.00) ESRRGESR1ESR2MAPTTP53
SCHEMBL20764011 0.83 MAPT (0.76) ESRRGESR1ESR2MAPTTP53
SCHEMBL20764078 0.82 ESRRG (0.79) ESRRGESR1ESR2MAPTTP53
SCHEMBL22311183 0.82 ESRRG (1.00) ESRRGESR1ESR2MAPTTP53
SCHEMBL20764049 0.82 ESRRG (0.69) ESRRGESR1ESR2MAPTTP53
SCHEMBL20764252 0.81 ESRRG (1.00) ESRRGESR1ESR2MAPTTP53

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 5 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

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.