SCHEMBL25864805

SCHEMBL25864805

CC(C)Cc1ccc(-c2nnc(-c3ccc4[nH]ccc4c3)o2)cc1O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GUSB P08236 6/20 0.45
LRRK2 Q5S007 3/20 0.43
APP P05067 1/20 0.43
PSMB8 P28062 1/20 0.43
SNCA P37840 2/20 0.41
PTGS2 P35354 1/20 0.40
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
BRD4 O60885 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
CTSK P43235 1/20 0.37

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
SCHEMBL25857009 0.87 LRRK2 (0.43) GUSBLRRK2APPPSMB8PTGS2
SCHEMBL25864784 0.79 GUSB (0.45) GUSBLRRK2APPPSMB8SNCA
SCHEMBL12614804 0.72 PIM1 (0.53) PIM1PIM3PIM2
SCHEMBL23558148 0.70 PSMB8 (0.40) GUSBLRRK2APPPSMB8S1PR1
SCHEMBL25856557 0.70 PSMB8 (0.40) LRRK2APPPSMB8S1PR1S1PR3
SCHEMBL30355554 0.69 LRRK2 (0.44) LRRK2APPPSMB8BRD4PIM1
SCHEMBL23523820 0.69 LRRK2 (0.44) LRRK2APPPSMB8BRD4PIM1
SCHEMBL12172035 0.68 MYC (0.53) APPPSMB8
SCHEMBL8178920 0.65 AHR (0.46) PTGS2
SCHEMBL4259674 0.64 APP (0.56) GUSBLRRK2APPPSMB8S1PR1

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 GUSB 3930/4885LRRK2 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.