SCHEMBL22556592

SCHEMBL22556592

COC(=O)c1cc(F)c(F)cc1Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 1/20 0.50
▸ AKR1C3 P42330 4/20 0.49
▸ AKR1C2 P52895 4/20 0.49
▸ KDM4E B2RXH2 2/20 0.45
▸ CTSV O60911 2/20 0.43
▸ CTSL P07711 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ IDO1 P14902 1/20 0.40
▸ TDO2 P48775 1/20 0.40
▸ MPO P05164 1/20 0.40
▸ CISD2 Q8N5K1 1/20 0.39

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
SCHEMBL13877059 0.81 CFTR (0.48) CFTRAKR1C3AKR1C2MAPTALOX15
SCHEMBL22556313 0.81 AKR1C3 (0.46) AKR1C3AKR1C2CTSVCTSLNPSR1
SCHEMBL21765032 0.80 MAPT (0.69) CFTRAKR1C3AKR1C2KDM4EMAPT
SCHEMBL30358971 0.78 CFTR (0.55) CFTRAKR1C3AKR1C2MAPTALOX15
SCHEMBL22852770 0.77 TAS2R14 (0.50) CFTRAKR1C3AKR1C2KDM4EMAPT
SCHEMBL30294444 0.77 TAS2R14 (0.50) CFTRAKR1C3AKR1C2KDM4EMAPT
SCHEMBL20766837 0.76 TEAD1 (0.54) CFTRAKR1C3AKR1C2MAPTALOX15
SCHEMBL26930895 0.76 CFTR (0.48) CFTRAKR1C3AKR1C2KDM4EMAPT
SCHEMBL3237457 0.75 MAPT (0.62) AKR1C3AKR1C2KDM4ECTSVCTSL
SCHEMBL22452887 0.74 AKR1C3 (0.48) CFTRAKR1C3AKR1C2MAPTMEN1

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-11661403-B2 Oxadiazole compounds VIVACE THERAPEUTICS, INC. (US) 2023-05-30 — — US disclosed
US-11661403-B2 Oxadiazole compounds VIVACE THERAPEUTICS, INC. (US) 2023-05-30 — — US disclosed
US-20210238154-A1 OXADIAZOLE COMPOUNDS VIVACE THERAPEUTICS, INC. 2021-08-05 — — US disclosed
US-20210238154-A1 OXADIAZOLE COMPOUNDS VIVACE THERAPEUTICS, INC. 2021-08-05 — — US disclosed
EP-3793551-A1 OXADIAZOLE COMPOUNDS Vivace Therapeutics, Inc. (US) 2021-03-24 — — EP disclosed
WO-2019222431-A9 OXADIAZOLE COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2020-10-22 — — WO disclosed
WO-2019222431-A9 OXADIAZOLE COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2020-10-22 — — 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-20210238154-A1 OXADIAZOLE COMPOUNDS YAP1, TEAD2, TEAD3 CFTR 1853/4885AKR1C3 4073/4885AKR1C2 3589/4885
US-11661403-B2 Oxadiazole compounds YAP1, TEAD2, TEAD3 CFTR 1853/4885AKR1C3 4073/4885AKR1C2 3589/4885

“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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