SCHEMBL29640229

SCHEMBL29640229

CC(C)OC(=O)[C@](N)(c1cc(F)cc(F)c1)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SLC6A3 Q01959 1/20 0.34
DPP4 P27487 3/20 0.34
DPP7 Q9UHL4 2/20 0.34
SMYD3 Q9H7B4 1/20 0.34
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
ADRA1A P35348 1/20 0.31
PDE4D Q08499 1/20 0.31
PTPN1 P18031 1/20 0.31
DPP9 Q86TI2 3/20 0.31
DPP8 Q6V1X1 1/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL29640228 1.00 EPHX1 (0.35) EPHX1MEN1KMT2ASLC6A3DPP4
SCHEMBL21149928 1.00 EPHX1 (0.35) EPHX1MEN1KMT2ASLC6A3DPP4
SCHEMBL21112143 0.77 MEN1 (0.51) EPHX1MEN1KMT2ADPP4DPP7
SCHEMBL21112142 0.77 MEN1 (0.51) EPHX1MEN1KMT2ADPP4DPP7
SCHEMBL4652260 0.75 NEK2 (0.35) MEN1KMT2APDE4D
SCHEMBL21149927 0.74 MEN1 (0.30) MEN1KMT2ASLC6A3PTPN1
SCHEMBL28402051 0.74 MEN1 (0.30) MEN1KMT2ASLC6A3PTPN1
SCHEMBL10081943 0.74 SMN1; SMN2 (0.34) EPHX1MEN1KMT2ADPP4DPP7
SCHEMBL23115097 0.71 SLC6A3 (0.33) SLC6A3
SCHEMBL21149922 0.71 SLC6A3 (0.33) SLC6A3

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-11352329-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2022-06-07 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-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN EPHX1 1553/4885MEN1 2814/4885KMT2A 1556/4885

“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.