SCHEMBL18988657

SCHEMBL18988657

CC(C)(N[C@H]1CC[C@@H](NC(=O)O)CC1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
PKM P14618 1/20 0.39
CD38 P28907 2/20 0.37
EPHX1 P07099 3/20 0.36
POLB P06746 2/20 0.33
EPHX2 P34913 2/20 0.32
MMP2 P08253 1/20 0.31
MMP8 P22894 1/20 0.31
HSD11B1 P28845 1/20 0.31
TAS1R3 Q7RTX0 3/20 0.31
TAS1R2 Q8TE23 3/20 0.31
TAS1R1 Q7RTX1 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 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
SCHEMBL18987649 1.00 PDK1 (0.42) PDK1PDK2PDK3PDK4PKM
SCHEMBL1700015 0.80 EPHX1 (0.40) PDK1PDK2PDK3PDK4PKM
SCHEMBL28938310 0.80 BTK (0.48) PDK1PDK2PDK3PDK4EPHX1
SCHEMBL17335965 0.77 EPHX1 (0.46) PDK1PDK2PDK3PDK4PKM
SCHEMBL17335967 0.77 EPHX1 (0.46) PDK1PDK2PDK3PDK4PKM
SCHEMBL6658887 0.74 EPHX2 (0.50) PKMEPHX1POLBEPHX2MMP2
SCHEMBL245467 0.74
SCHEMBL30687981 0.73 CD38 (0.39) PDK1PDK2PDK3PDK4PKM
SCHEMBL28722478 0.73 ATM (0.41) PDK1PDK2PDK3PDK4CD38
SCHEMBL23573423 0.72 EPHX1 (0.63) PDK1PDK2PDK3PDK4PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3390384-B1 QUINOLINE-3-CARBOXAMIDES AS H-PGDS INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2021-09-15 EP disclosed
US-20210238162-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-08-05 US disclosed
EP-3390384-A1 QUINOLINE-3-CARBOXAMIDES AS H-PGDS INHIBITORS Astex Therapeutics Limited (GB) 2018-10-24 EP disclosed
WO-2017103851-A1 QUINOLINE-3-CARBOXAMIDES AS H-PGDS INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2017-06-22 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 (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-20210238162-A1 CHEMICAL COMPOUNDS HPGDS, PTGS1, PTGIS PDK1 312/4885PDK2 423/4885PDK3 397/4885

“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.