SCHEMBL4599319

SCHEMBL4599319

CC(C)(C)OC(=O)Nc1ccc(C(C)(O)C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 3/20 0.49
▸ PDK2 Q15119 3/20 0.49
▸ PDK3 Q15120 3/20 0.49
▸ PDK4 Q16654 3/20 0.49
▸ NAMPT P43490 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CYP17A1 P05093 2/20 0.47
▸ PSMB8 P28062 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HSD11B1 P28845 4/20 0.43
▸ MAPT P10636 1/20 0.43
▸ EPHX2 P34913 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ TRPV1 Q8NER1 1/20 0.42

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
SCHEMBL23502328 0.88 SMN1; SMN2 (0.64) PDK1PDK2PDK3PDK4NAMPT
SCHEMBL1138925 0.85 EPHX2 (0.59) NAMPTCYP17A1ALDH1A1MAPTEPHX2
SCHEMBL28298376 0.83 NAMPT (0.52) PDK1PDK2PDK3PDK4NAMPT
SCHEMBL13055402 0.83 CYP17A1 (0.59) NAMPTSMN1; SMN2CYP17A1PSMB8ALDH1A1
SCHEMBL18275167 0.82 ALDH1A1 (0.50) PDK1PDK2PDK3PDK4NAMPT
SCHEMBL12387210 0.82 PDK1 (0.55) PDK1PDK2PDK3PDK4NAMPT
SCHEMBL10176299 0.82 SMN1; SMN2 (0.54) PDK1PDK2PDK3PDK4NAMPT
SCHEMBL19853212 0.82 NAMPT (0.54) NAMPTSMN1; SMN2CYP17A1PSMB8CA12
SCHEMBL19180948 0.80 PDK1 (0.54) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL21047664 0.80 SMN1; SMN2 (0.72) PDK1PDK2PDK3PDK4SMN1; SMN2

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-8076376-B2 Aniline sulfonamide derivatives and their uses AMGEN INC. 2011-12-13 — — US disclosed
US-8076376-B2 Aniline sulfonamide derivatives and their uses AMGEN INC. 2011-12-13 — — US disclosed
US-8076376-B2 Aniline sulfonamide derivatives and their uses AMGEN INC. 2011-12-13 — — US disclosed
EP-1907357-A1 ANILINE SULFONAMIDE DERIVATIVES AND THEIR USES Amgen Inc. (US) 2008-04-09 — — EP disclosed
WO-2007013929-A1 ANILINE SULFONAMIDE DERIVATIVES AND THEIR USES AMGEN INC. (US) 2007-02-01 — — WO disclosed
US-20070021502-A1 Aniline sulfonamide derivatives and their uses AMGEN INC. 2007-01-25 — — US disclosed
US-20070021502-A1 Aniline sulfonamide derivatives and their uses AMGEN INC. 2007-01-25 — — 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 (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-20070021502-A1 Aniline sulfonamide derivatives and their uses ARSA, SULT2A1, SULT1A1 PDK1 967/4885PDK2 354/4885PDK3 584/4885

“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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