SCHEMBL22829313

SCHEMBL22829313

CC(C)(C)OC(=O)n1c(-c2ccc(F)cc2C(F)(F)F)cc2ccc(Cl)nc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
NR1H2 P55055 4/20 0.33
GPR119 Q8TDV5 2/20 0.33
EIF4E P06730 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
CCR9 P51686 1/20 0.32
TTK P33981 1/20 0.32
HSD11B1 P28845 1/20 0.32
NR1H3 Q13133 1/20 0.32
BRD4 O60885 1/20 0.32
RORC P51449 2/20 0.32
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
NTRK1 P04629 1/20 0.31

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
SCHEMBL29891209 1.00 HSP90AA1 (0.34) HSP90AA1HSP90AB1NR1H2GPR119EIF4E
SCHEMBL22829332 0.92 HSP90AA1 (0.34) HSP90AA1HSP90AB1NR1H2GPR119CCR9
SCHEMBL29890743 0.92 HSP90AA1 (0.34) HSP90AA1HSP90AB1NR1H2GPR119CCR9
SCHEMBL21657878 0.88 NR1H2 (0.39) HSP90AA1HSP90AB1NR1H2GPR119TTK
SCHEMBL29891744 0.88 NR1H2 (0.39) HSP90AA1HSP90AB1NR1H2GPR119TTK
SCHEMBL20455647 0.85 EIF4E (0.38) EIF4EAKR1C3AKR1C2CCR9HSD11B1
SCHEMBL22829314 0.84 HSP90AA1 (0.34) HSP90AA1HSP90AB1NR1H2GPR119CCR9
SCHEMBL29891149 0.84 HSP90AA1 (0.34) HSP90AA1HSP90AB1NR1H2GPR119CCR9
SCHEMBL22829310 0.84 GPR119 (0.36) HSP90AA1HSP90AB1NR1H2GPR119CCR9
SCHEMBL22838260 0.84 HSP90AA1 (0.34) HSP90AA1HSP90AB1NR1H2GPR119CCR9

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
CN-110248940-B Aryl hydrocarbon receptor (AhR) modulator compounds 菲尼克斯药品股份公司 2022-07-01 CN disclosed
US-10981908-B2 Aryl hydrocarbon receptor (AHR) modulator compounds PHENEX PHARMACEUTICALS AG (DE) 2021-04-20 US disclosed
US-10981908-B2 Aryl hydrocarbon receptor (AHR) modulator compounds PHENEX PHARMACEUTICALS AG (DE) 2021-04-20 US disclosed
EP-3577112-B1 ARYL HYDROCARBON RECEPTOR (AHR) MODULATOR COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2020-12-30 EP disclosed
EP-3577112-B1 ARYL HYDROCARBON RECEPTOR (AHR) MODULATOR COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2020-12-30 EP 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 (1 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-10981908-B2 Aryl hydrocarbon receptor (AHR) modulator compounds AHR, ARNT, NR1H2 HSP90AA1 1120/4885HSP90AB1 944/4885NR1H2 3/4885

“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.