SCHEMBL20764064

SCHEMBL20764064

O=C(Nc1ccc(Cl)cc1)c1ccc(-c2cccc(C(F)(F)F)c2)s1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 9/20 0.72
ESR1 P03372 5/20 0.64
PRSS12 P56730 1/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
PPARG P37231 2/20 0.58
NCOA2 Q15596 1/20 0.58
NCOA1 Q15788 1/20 0.58
NCOA3 Q9Y6Q9 1/20 0.58
ESR2 Q92731 3/20 0.57
RXFP1 Q9HBX9 1/20 0.55
KDM4E B2RXH2 2/20 0.54
NR2E3 Q9Y5X4 1/20 0.54
NCOR2 Q9Y618 1/20 0.54
MAPT P10636 2/20 0.53
TP53 P04637 2/20 0.53
IL2 P60568 2/20 0.53
MAPKAPK2 P49137 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL20764084 0.89 ESRRG (0.74) ESRRGESR1NPC1RAB9APPARG
SCHEMBL20764065 0.89 ESRRG (0.72) ESRRGESR1PRSS12NPC1RAB9A
SCHEMBL20764083 0.86 NPC1 (0.58) ESRRGESR1NPC1RAB9APPARG
SCHEMBL20764258 0.85 ESRRG (0.80) ESRRGESR1PRSS12NPC1RAB9A
SCHEMBL20764027 0.84 ESRRG (1.00) ESRRGESR1PRSS12NPC1RAB9A
SCHEMBL20764082 0.81 MEN1 (0.58) ESRRGESR1NPC1RAB9APPARG
SCHEMBL20764067 0.80 ESRRG (0.71) ESRRGESR1PRSS12NPC1RAB9A
SCHEMBL20764071 0.80 ESRRG (0.71) ESRRGESR1PRSS12NPC1RAB9A
SCHEMBL20764080 0.80 ESRRG (0.78) ESRRGESR1NPC1RAB9APPARG
SCHEMBL20764016 0.78 ESRRG (1.00) ESRRGESR1NPC1RAB9APPARG

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 6/4885PRSS12 4129/4885
US-11795162-B2 Modulators of the estrogen-related receptor ESR2, GPER1, ESRRG ESRRG 3/4885ESR1 4/4885PRSS12 2534/4885

“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.