SCHEMBL21740931

SCHEMBL21740931

CC(C)C(=O)N1CCOC(c2nccs2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KRAS P01116 1/20 0.45
DPP4 P27487 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
LRRK2 Q5S007 1/20 0.35
PDE2A O00408 4/20 0.34
CCR5 P51681 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
YES1 P07947 1/20 0.34
LYN P07948 1/20 0.34
FGR P09769 1/20 0.34
SRC P12931 1/20 0.34
CSK P41240 1/20 0.34
TEC P42680 1/20 0.34
TXK P42681 1/20 0.34
FRK P42685 1/20 0.34
BLK P51451 1/20 0.34
BMX P51813 1/20 0.34
BTK Q06187 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL23497183 0.83 KRAS (0.47) KRASLRRK2PDE2AFAAHDRD4
SCHEMBL19002452 0.82 KRAS (0.45) KRASLRRK2PDE2ACCR5BTK
SCHEMBL18997551 0.82 KRAS (0.45) KRASLRRK2PDE2ADRD4
SCHEMBL17166456 0.76 LRRK2 (0.39) KRASLRRK2KCNH2HRH3DRD4
SCHEMBL24829743 0.75 KRAS (0.41) KRASLRRK2PDE2ADRD4
SCHEMBL17166234 0.72 LRRK2 (0.37) KRASLRRK2
SCHEMBL21169302 0.72 USP30 (0.54) PDE2AKCNH2HRH3
SCHEMBL28182364 0.69 LRRK2 (0.39) KRASLRRK2
SCHEMBL20665224 0.68 KRAS (0.44) KRASPDE2A
SCHEMBL356037 0.68 USP30 (0.40) DPP4DPP7PDE4BGLRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-03-02 US disclosed
US-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-02-20 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 (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-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS KRAS 2/4885DPP4 4533/4885DPP7 4458/4885
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS KRAS 2/4885DPP4 4533/4885DPP7 4458/4885

“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.