SCHEMBL20764102

SCHEMBL20764102

N#Cc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3)s2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 7/20 0.72
ESR1 P03372 2/20 0.72
MAPKAPK2 P49137 1/20 0.61
LMNA P02545 2/20 0.57
MAPT P10636 2/20 0.57
TSHR P16473 1/20 0.57
HTT P42858 1/20 0.57
NLRP3 Q96P20 1/20 0.57
TAS1R3 Q7RTX0 1/20 0.56
TAS1R1 Q7RTX1 1/20 0.56
TAS1R2 Q8TE23 1/20 0.56
KDM4E B2RXH2 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
PPARG P37231 2/20 0.55
NCOA2 Q15596 1/20 0.55
NCOA1 Q15788 1/20 0.55
NCOA3 Q9Y6Q9 1/20 0.55
PTPN11 Q06124 2/20 0.54

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
SCHEMBL20764091 0.88 ESRRG (0.76) ESRRGESR1LMNAMAPTKDM4E
SCHEMBL20764067 0.88 ESRRG (0.71) ESRRGESR1MAPKAPK2MAPTKDM4E
SCHEMBL20764090 0.85 ESRRG (0.60) ESRRGESR1LMNAMAPTTAS1R3
SCHEMBL20764016 0.84 ESRRG (1.00) ESRRGESR1MAPKAPK2LMNAKDM4E
SCHEMBL20764080 0.83 ESRRG (0.78) ESRRGESR1MAPKAPK2LMNAMAPT
SCHEMBL20764003 0.81 ESRRG (0.72) ESRRGESR1NPC1RAB9APPARG
SCHEMBL4930772 0.80 ESRRG (0.73) ESRRGESR1MAPKAPK2LMNAMAPT
SCHEMBL20764065 0.80 ESRRG (0.72) ESRRGESR1MAPKAPK2LMNAMAPT
SCHEMBL20764282 0.79 ESRRG (0.70) ESRRGESR1MAPKAPK2LMNAMAPT
SCHEMBL20764081 0.78 CYP11B1 (0.64) ESRRGESR1LMNAMAPTHTT

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 4/4885ESR1 6/4885MAPKAPK2 2624/4885
US-11795162-B2 Modulators of the estrogen-related receptor ESR2, GPER1, ESRRG ESRRG 3/4885ESR1 4/4885MAPKAPK2 2982/4885

“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.