SCHEMBL5043580

SCHEMBL5043580

NSc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
EPHX2 P34913 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
KIF11 P52732 2/20 0.41
MAOB P27338 1/20 0.40
AOC3 Q16853 1/20 0.40
GPR3 P46089 1/20 0.39
CHRNA7 P36544 4/20 0.39
DHFR P00374 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
EPHX1 P07099 1/20 0.37
PDE2A O00408 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
SCHEMBL23254720 0.94 KIF11 (0.45) MAPTEPHX2KDM4ENOS3NOS1
SCHEMBL2949216 0.82 MAPT (0.42) MAPTEPHX2KDM4ENOS3NOS1
SCHEMBL944451 0.81 EPHX2 (0.50) MAPTEPHX2KDM4ENOS3NOS1
SCHEMBL254957 0.80 MAPT (0.56) MAPTEPHX2KDM4EKIF11MAOB
SCHEMBL17791002 0.77 MAPT (0.47) MAPTEPHX2KDM4ENOS3NOS1
SCHEMBL514680 0.77 CYP1A1 (0.44) MAPTEPHX2KDM4ENOS3NOS1
SCHEMBL514679 0.77 MAPT (0.42) MAPTEPHX2KDM4ENOS3NOS1
SCHEMBL4116218 0.77 MAPT (0.42) MAPTEPHX2KDM4ENOS3NOS1
SCHEMBL12953084 0.77 CYP3A4 (0.56) MAPTEPHX2KDM4ENOS3NOS1
SCHEMBL17790881 0.75 KIF11 (0.44) KIF11GPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022167867-A1 SUBSTITUTED CYCLIC MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME RAPPTA THERAPEUTICS OY (FI) 2022-08-11 WO disclosed
EP-1583762-B1 PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-07-09 EP disclosed
US-7135488-B2 Pyrrolyl-thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-11-14 US disclosed
EP-1583762-A1 PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP disclosed
US-20040147572-A1 Novel pyrrolyl-thiazole derivatives HOFFMAN-LA ROCHE INC. 2004-07-29 US disclosed
WO-2004060888-A1 NOVEL CB 1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 WO 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-20040147572-A1 Novel pyrrolyl-thiazole derivatives CNR1, CNR2, NPY1R MAPT 3334/4885EPHX2 1583/4885KDM4E 2916/4885

“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.