SCHEMBL25857009

SCHEMBL25857009

Cc1cc(-c2nnc(-c3ccc4[nH]ccc4c3)o2)ccc1CC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.43
PSMB8 P28062 1/20 0.43
BRD4 O60885 1/20 0.41
APP P05067 1/20 0.41
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
PTGS2 P35354 1/20 0.38
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
NPC1 O15118 1/20 0.38
CYP17A1 P05093 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL25864805 0.87 GUSB (0.45) LRRK2PSMB8BRD4APPS1PR1
SCHEMBL12614804 0.73 PIM1 (0.53) PIM1PIM3PIM2
SCHEMBL25864784 0.71 GUSB (0.45) LRRK2PSMB8BRD4APPS1PR1
SCHEMBL25856557 0.70 PSMB8 (0.40) LRRK2PSMB8BRD4APPS1PR1
SCHEMBL23523820 0.70 LRRK2 (0.44) LRRK2PSMB8BRD4APPPIM1
SCHEMBL30355554 0.70 LRRK2 (0.44) LRRK2PSMB8BRD4APPPIM1
SCHEMBL25857018 0.69 QPCT (0.42)
SCHEMBL23558148 0.68 PSMB8 (0.40) LRRK2PSMB8BRD4APPS1PR1
SCHEMBL12172035 0.67 MYC (0.53) PSMB8APPNPC1ALDH1A1HPGD
SCHEMBL1930689 0.67 BRD4 (0.56) LRRK2PSMB8BRD4S1PR1S1PR3

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 LRRK2 2882/4885PSMB8 3946/4885BRD4 808/4885

“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.