SCHEMBL20549583

SCHEMBL20549583

CC(C)(C)N[C@@H]1CCCC(NC(=O)O)C1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.45
EPHX1 P07099 7/20 0.36
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
GRM5 P41594 4/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
EPHX2 P34913 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MMP2 P08253 1/20 0.33
MMP8 P22894 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
MAPT P10636 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL1811527 0.92 BTK (0.37) BTKEPHX1PDK1PDK2PDK3
SCHEMBL21452446 0.85 ALDH1A1 (0.49) BTKEPHX1PDK1PDK2PDK3
SCHEMBL21452445 0.85 ALDH1A1 (0.49) BTKEPHX1PDK1PDK2PDK3
SCHEMBL12928798 0.85 ALDH1A1 (0.49) BTKEPHX1PDK1PDK2PDK3
SCHEMBL5433248 0.84 EPHX1 (0.44) BTKEPHX1GRM5KDM4EALDH1A1
SCHEMBL5433245 0.84 EPHX1 (0.44) BTKEPHX1GRM5KDM4EALDH1A1
SCHEMBL5433253 0.84 EPHX1 (0.44) BTKEPHX1GRM5KDM4EALDH1A1
SCHEMBL17504487 0.84 EPHX1 (0.44) BTKEPHX1GRM5KDM4EALDH1A1
SCHEMBL1700015 0.80 EPHX1 (0.40) EPHX1PDK1PDK2PDK3PDK4
SCHEMBL13034020 0.79 BTK (0.58) BTKEPHX1PDK1PDK2PDK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180319772-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2018-11-08 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-20180319772-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 BTK 1779/4885EPHX1 4016/4885PDK1 614/4885

“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.