SCHEMBL20073974

SCHEMBL20073974

CNC(=O)[C@](O)(c1cccc(OC)c1)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.52
PDK2 Q15119 2/20 0.52
PDK3 Q15120 2/20 0.52
PDK4 Q16654 2/20 0.52
KCNJ11 Q14654 2/20 0.44
ABCC9 O60706 1/20 0.44
ABCC8 Q09428 1/20 0.44
KCNJ8 Q15842 1/20 0.44
RORA P35398 1/20 0.43
RORC P51449 1/20 0.43
NR1H2 P55055 1/20 0.43
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL20072035 1.00 PDK1 (0.52) PDK1PDK2PDK3PDK4KCNJ11
SCHEMBL20072110 0.85 PDK1 (0.49) PDK1PDK2PDK3PDK4KCNJ11
SCHEMBL20068672 0.85 PDK1 (0.49) PDK1PDK2PDK3PDK4KCNJ11
SCHEMBL20072038 0.85 CACNA1B (0.46) PDK1PDK2PDK3PDK4MEN1
SCHEMBL18921671 0.84 PDK1 (0.49) PDK1PDK2PDK3PDK4KCNJ11
SCHEMBL30451083 0.84 PDK1 (0.49) PDK1PDK2PDK3PDK4KCNJ11
SCHEMBL18921672 0.84 PDK1 (0.49) PDK1PDK2PDK3PDK4KCNJ11
SCHEMBL20060896 0.83 PDK1 (0.47) PDK1PDK2PDK3PDK4MEN1
SCHEMBL20068678 0.83 PDK1 (0.47) PDK1PDK2PDK3PDK4MEN1
SCHEMBL20072129 0.82 PARP1 (0.49) PDK1PDK2PDK3PDK4KCNJ11

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-3526203-B1 N-ARYL AND N-HETEROARYL PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2021-09-22 EP disclosed
US-10961215-B2 N-aryl and N-heteroaryl piperidine derivatives as liver X receptor beta agonists, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2021-03-30 US disclosed
US-20200039951-A1 N-ARYL AND N-HETEROARYL PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2020-02-06 US disclosed
WO-2018071313-A1 N-ARYL AND N-HETEROARYL PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2018-04-19 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-20200039951-A1 N-ARYL AND N-HETEROARYL PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE NR1H2, NR1H3, NR1H4 PDK1 2640/4885PDK2 2328/4885PDK3 2357/4885
US-10961215-B2 N-aryl and N-heteroaryl piperidine derivatives as liver X receptor beta agonists, compositions, and their use NR1H2, NR1H3, NR1H4 PDK1 2640/4885PDK2 2328/4885PDK3 2357/4885

“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.