SCHEMBL2594823

SCHEMBL2594823

COc1cc(-c2cc(C(F)(F)F)ccc2C(=O)O)c2c(=O)n(-c3ccc(OC(=O)c4ccc(C(F)(F)F)cc4)c(F)c3)cc(Br)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.39
ESRRA P11474 2/20 0.39
ESR1 P03372 1/20 0.38
TP53 P04637 2/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
PTPN11 Q06124 2/20 0.36
CMA1 P23946 1/20 0.34
PTGER1 P34995 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPT P10636 1/20 0.33
SCN8A Q9UQD0 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
HPGD P15428 2/20 0.33
AKR1C3 P42330 2/20 0.32
THRB P10828 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
USP2 O75604 1/20 0.32
CYP2C19 P33261 1/20 0.32
AKR1C2 P52895 1/20 0.32

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
SCHEMBL2594824 0.88 ESRRA (0.45) ESR2ESRRAESR1TP53ALDH1A1
SCHEMBL3068461 0.86 ESR2 (0.52) ESR2ESRRAESR1TP53ALDH1A1
SCHEMBL3062219 0.86 EGFR (0.43) TP53ALDH1A1KDM4EPTPN11CMA1
SCHEMBL3068462 0.80 ESR2 (0.53) ESR2ESRRAESR1TP53ALDH1A1
SCHEMBL15026343 0.76 ESRRA (0.41) ESR2ESRRAESR1TP53ALDH1A1
SCHEMBL3068492 0.76 CMA1 (0.43) ESR2ESRRAESR1TP53ALDH1A1
SCHEMBL15305094 0.75 KDM4E (0.49) ESR2ESRRAESR1TP53ALDH1A1
SCHEMBL3062221 0.74 EGFR (0.54) TP53MAPT
SCHEMBL14924033 0.73 ALDH1A1 (0.47) ESR2ESRRAESR1TP53ALDH1A1
SCHEMBL3063674 0.70 NPBWR1 (0.42) ESR2ESRRAESR1TP53ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9623021-B2 Nuclear receptor binding agents GTX, INC. (US) 2017-04-18 US disclosed
US-9604931-B2 Nuclear receptor binding agents GTX, INC. (US) 2017-03-28 US disclosed
US-20170014401-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. 2017-01-19 US disclosed
US-20130150403-A1 NUCLEAR RECEPTOR BINDING AGENTS VA Long Beach Healthcare System (US) 2013-06-13 US disclosed
EP-2566330-A1 NUCLEAR RECEPTOR BINDING AGENTS Gtx, Inc. (US) 2013-03-13 EP disclosed
WO-2011140228-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. (US) 2011-11-10 WO disclosed
US-20100267767-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. 2010-10-21 US 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 (3 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-20170014401-A1 NUCLEAR RECEPTOR BINDING AGENTS ESRRB, ESRRG, ESRRA ESR2 4/4885ESRRA 3/4885ESR1 28/4885
US-20130150403-A1 NUCLEAR RECEPTOR BINDING AGENTS FABP3, NCOR1, NR3C2 ESR2 42/4885ESRRA 16/4885ESR1 375/4885
US-20100267767-A1 NUCLEAR RECEPTOR BINDING AGENTS FABP1, FABP4, ADIPOR2 ESR2 16/4885ESRRA 11/4885ESR1 145/4885

“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.