SCHEMBL4441995

SCHEMBL4441995

NC(=O)c1ccc(Br)cc1OC(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.54
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
CHEK1 O14757 1/20 0.40
SIK1 P57059 1/20 0.40
SIK2 Q9H0K1 1/20 0.40
SIK3 Q9Y2K2 1/20 0.40
PARP15 Q460N3 2/20 0.39
PARP10 Q53GL7 1/20 0.38
MCHR1 Q99705 3/20 0.38
ADRA2A P08913 2/20 0.38
PTPN1 P18031 1/20 0.38
ALPL P05186 2/20 0.38
PARP1 P09874 1/20 0.37
SCN9A Q15858 1/20 0.37
EPHX2 P34913 2/20 0.37
MAP2K2 P36507 1/20 0.36
MAP2K1 Q02750 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
NPY5R Q15761 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
SCHEMBL30900302 0.87 DGAT1 (0.50) DGAT1MAOAMAOBCHEK1ALPL
SCHEMBL3938494 0.85 MAOA (0.48) DGAT1MAOAMAOBMCHR1ADRA2A
SCHEMBL15884073 0.83 MAOA (0.47) DGAT1MAOAMAOBMCHR1ADRA2A
SCHEMBL22979567 0.83 MAOA (0.44) DGAT1MAOAMAOBMCHR1ADRA2A
SCHEMBL3784025 0.81 ALDH1A1 (0.45) DGAT1CHEK1PTPN1SCN9AEPHX2
SCHEMBL3784022 0.81 SLC6A2 (0.46) CHEK1PARP15PARP10ALPLPARP1
SCHEMBL516923 0.81 ALPL (0.47) MAOAMAOBMCHR1ADRA2AALPL
SCHEMBL4638596 0.80 AVPR2 (0.47) ALPL
SCHEMBL20541755 0.80 SCN9A (0.41) CHEK1PARP1SCN9AMAP2K2MAP2K1
SCHEMBL3778656 0.80 MAP2K1 (0.40) DGAT1CHEK1SCN9AEPHX2MAP2K2

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-20080167348-A1 NOVEL SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-10 US claimed
EP-2118062-A1 SULFONAMIDE DERIVATIVES AS CHYMASE INHIBITORS F. Hoffmann-Roche AG (CH) 2009-11-18 EP disclosed
WO-2008084004-A1 SULFONAMIDE DERIVATIVES AS CHYMASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-07-17 WO disclosed
US-20080167348-A1 NOVEL SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-10 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-20080167348-A1 NOVEL SULFONAMIDE DERIVATIVES CMA1, ARSA, TPSAB1 DGAT1 4357/4885MAOA 749/4885MAOB 1280/4885

“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.