SCHEMBL6427119

SCHEMBL6427119

O=C(NCCC1SC(NC2CC3C=CC2C3)=NC1=O)c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 4/20 0.38
EPHX2 P34913 2/20 0.35
NTRK1 P04629 3/20 0.34
NTRK2 Q16620 1/20 0.34
RPS6KB1 P23443 1/20 0.33
PPARG P37231 3/20 0.32
PPARA Q07869 3/20 0.32
GAA P10253 1/20 0.32
ESRRG P62508 1/20 0.31
TP53 P04637 2/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL6497945 0.86 NTRK1 (0.30) NTRK1NTRK2
SCHEMBL6429092 0.85 PARP1 (0.33) EPHX2
SCHEMBL6506173 0.82 SMN1; SMN2 (0.37) EPHX2GAALMNA
SCHEMBL6508913 0.81 POLB (0.40) PPARDGAALMNAMAPT
SCHEMBL6506058 0.81 SCN8A (0.31)
SCHEMBL6506781 0.79 P2RX7 (0.39) TP53
SCHEMBL6388738 0.78 POLB (0.43) GAA
SCHEMBL6506960 0.78 CES2 (0.34)
SCHEMBL6498589 0.78 KEAP1 (0.35) EPHX2GAA
SCHEMBL6427084 0.77 CHRM4 (0.36) EPHX2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed
WO-2005075471-A2 THIAZOL-COMPOUNDS AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS BIOVITRUM AB (SE) 2005-08-18 WO claimed
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US disclosed
WO-2005075471-A2 THIAZOL-COMPOUNDS AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS BIOVITRUM AB (SE) 2005-08-18 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-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 PPARD 848/4885EPHX2 641/4885NTRK1 4296/4885

“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.