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Sugi Predict / Compounds / SCHEMBL21786440

SCHEMBL21786440

SCHEMBL21786440

CC(C)(C)OC(=O)NCCOc1ccc(-c2cc(C(F)(F)F)n[nH]2)c(O)c1-c1cncc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.37
▸ KCNH2 Q12809 1/20 0.35
▸ GPBAR1 Q8TDU6 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ CA12 O43570 2/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ ITK Q08881 2/20 0.34
▸ GRIN2B Q13224 3/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ ALOX5AP P20292 1/20 0.32
▸ FEN1 P39748 1/20 0.32
▸ WNT1 P04628 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ CACNA1H O95180 1/20 0.32
▸ CACNA1B Q00975 1/20 0.32
▸ CACNA1C Q13936 1/20 0.32
▸ ATR Q13535 1/20 0.32
▸ ATRIP Q8WXE1 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
SCHEMBL22791335 0.89 ITK (0.43) ITKGRIN2BGRIN1WNT1DYRK1A
SCHEMBL22791032 0.87 ITK (0.37) ITKGRIN2BGRIN1WNT1DYRK1A
SCHEMBL21786554 0.82 GPBAR1 (0.36) PDK2GPBAR1SCN9ACA12CA1
SCHEMBL22791143 0.82 PRMT5 (0.38) GRIN2BGRIN1ALOX5APFEN1DYRK1A
SCHEMBL22791001 0.82 GRIN2B (0.31) GRIN2BGRIN1
SCHEMBL21786617 0.81 LTB4R (0.36) GRIN2BGRIN1CYP11B1CYP11B2
SCHEMBL21786552 0.79 DRD2 (0.37) PDK2GPBAR1SCN9ACA12CA1
SCHEMBL21786536 0.76 PTGER1 (0.41) ALOX5AP
SCHEMBL21786441 0.76 CYP19A1 (0.36) CYP11B1CYP11B2
SCHEMBL21786538 0.75 IKBKB (0.34) GPBAR1

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
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY 2021-12-23 — — US disclosed
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents NORTHWESTERN UNIVERSITY (US) 2021-10-12 — — US disclosed
WO-2020257261-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-12-24 — — WO disclosed
US-20200392116-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-12-17 — — US disclosed
WO-2020046382-A1 SUBSTITUTED HETEROCYCLES AS C-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-03-05 — — 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 (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-20200392116-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 PDK2 505/4885KCNH2 4098/4885GPBAR1 4304/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 PDK2 505/4885KCNH2 4098/4885GPBAR1 4304/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 PDK2 505/4885KCNH2 4098/4885GPBAR1 4304/4885

“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.