SCHEMBL25856557

SCHEMBL25856557

CC(C)(C)CCc1ccc(-c2nnc(-c3ccc4[nH]ccc4c3)o2)cc1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.40
LRRK2 Q5S007 3/20 0.39
APP P05067 1/20 0.38
PRKCQ Q04759 2/20 0.37
NPC1 O15118 2/20 0.37
IMPDH2 P12268 1/20 0.37
IMPDH1 P20839 1/20 0.37
S1PR1 P21453 2/20 0.37
S1PR3 Q99500 1/20 0.37
CDK1 P06493 1/20 0.37
KDR P35968 1/20 0.37
BRD4 O60885 1/20 0.36
PRKCH P24723 1/20 0.35
PRKCE Q02156 1/20 0.35
PRKCD Q05655 1/20 0.35
RIPK3 Q9Y572 1/20 0.35
CYP17A1 P05093 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
MEN1 O00255 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
SCHEMBL23558148 0.89 PSMB8 (0.40) PSMB8LRRK2APPPRKCQNPC1
SCHEMBL23523820 0.73 LRRK2 (0.44) PSMB8LRRK2APPPRKCQIMPDH2
SCHEMBL30355554 0.73 LRRK2 (0.44) PSMB8LRRK2APPPRKCQIMPDH2
SCHEMBL25863699 0.71 S1PR1 (0.50) PSMB8S1PR1S1PR3BRD4
SCHEMBL25857009 0.70 LRRK2 (0.43) PSMB8LRRK2APPNPC1S1PR1
SCHEMBL25864805 0.70 GUSB (0.45) PSMB8LRRK2APPS1PR1S1PR3
SCHEMBL12172035 0.66 MYC (0.53) PSMB8APPNPC1MEN1RAB9A
SCHEMBL1930689 0.66 BRD4 (0.56) PSMB8LRRK2NPC1S1PR1S1PR3
SCHEMBL13967025 0.66 HDAC1 (0.47) NPC1IMPDH2IMPDH1CYP17A1CYP11B1
SCHEMBL12614804 0.65 PIM1 (0.53)

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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 PSMB8 3946/4885LRRK2 2882/4885APP 857/4885

“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.