SCHEMBL20764244

SCHEMBL20764244

O=C(Nc1ccc(F)cc1)c1ccc(-c2ccc(O)cc2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ESRRG P62508 15/20 1.00
▸ PTPN2 P17706 1/20 0.80
▸ PTPN11 Q06124 1/20 0.80
▸ KDM4E B2RXH2 3/20 0.77
▸ NPC1 O15118 3/20 0.77
▸ RAB9A P51151 3/20 0.77
▸ SMN1; SMN2 Q16637 2/20 0.77
▸ MEN1 O00255 1/20 0.77
▸ MAPT P10636 1/20 0.77
▸ KMT2A Q03164 1/20 0.77
▸ ESR1 P03372 4/20 0.75
▸ ALDH1A1 P00352 1/20 0.62
▸ HPGD P15428 1/20 0.62
▸ ESR2 Q92731 2/20 0.62
▸ LMNA P02545 1/20 0.60
▸ PPARG P37231 1/20 0.60
▸ NCOA2 Q15596 1/20 0.60
▸ NCOA1 Q15788 1/20 0.60
▸ NCOA3 Q9Y6Q9 1/20 0.60

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
SCHEMBL20764089 1.00 ESRRG (1.00) ESRRGPTPN2PTPN11KDM4ENPC1
SCHEMBL20764261 0.87 ESRRG (0.78) ESRRGPTPN2PTPN11KDM4ENPC1
SCHEMBL20764080 0.87 ESRRG (0.78) ESRRGPTPN2PTPN11KDM4ENPC1
SCHEMBL20764079 0.87 ESRRG (1.00) ESRRGKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL20764002 0.87 ESRRG (1.00) ESRRGPTPN2PTPN11KDM4ENPC1
SCHEMBL20764028 0.86 PTPN11 (0.85) ESRRGPTPN2PTPN11KDM4ENPC1
SCHEMBL20764004 0.86 ESRRG (1.00) ESRRGPTPN2PTPN11KDM4ENPC1
SCHEMBL20764016 0.86 ESRRG (1.00) ESRRGPTPN2PTPN11KDM4ENPC1
SCHEMBL20764056 0.85 ESRRG (1.00) ESRRGPTPN11KDM4ENPC1RAB9A
SCHEMBL20764093 0.85 ESRRG (0.74) ESRRGPTPN2PTPN11KDM4ENPC1

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 4 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
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 4/4885PTPN2 807/4885PTPN11 515/4885
US-11795162-B2 Modulators of the estrogen-related receptor ESR2, GPER1, ESRRG ESRRG 3/4885PTPN2 806/4885PTPN11 547/4885

“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.

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