SCHEMBL25948414

SCHEMBL25948414

COc1cccc(C(C)(C)CCOc2ccc(S)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
MAPK1 P28482 1/20 0.39
MAOB P27338 2/20 0.38
KIF11 P52732 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRNA7 P36544 1/20 0.36
LTA4H P09960 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 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
SCHEMBL15995315 0.80 CNR2 (0.49) CNR1CNR2MAPK1MAOBKIF11
SCHEMBL22096345 0.77 CNR1 (0.48) CNR1CNR2MAPK1MAOBKIF11
SCHEMBL5644608 0.76 CNR1 (0.52) CNR1CNR2MAOBKIF11DRD2
SCHEMBL25968340 0.75 CNR2 (0.55) CNR1CNR2MAOBKIF11KCNH2
SCHEMBL21849243 0.74 L3MBTL1 (0.43) CNR1CNR2MAOBLMNAPOLB
SCHEMBL5646550 0.73 CNR2 (0.60) CNR1CNR2KIF11
SCHEMBL18764220 0.73 L3MBTL1 (0.45) CNR1CNR2MAPK1MEN1KMT2A
SCHEMBL8705771 0.72 KIF11 (0.46) CNR1CNR2MAPK1KIF11LMNA
SCHEMBL3435840 0.72 KIF11 (0.46) CNR1CNR2MAPK1MAOBKIF11
SCHEMBL23026417 0.71 KIF11 (0.43) CNR1CNR2MAPK1KIF11KMT2A

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-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 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-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 CNR1 573/4885CNR2 874/4885MAPK1 3157/4885

“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.