SCHEMBL3000208

SCHEMBL3000208

COC(=O)CN(c1cc(OCc2ccccc2)cc2ccc(OC)cc12)S(N)(=O)=O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
PTPN1 P18031 3/20 0.46
KEAP1 Q14145 4/20 0.43
NFE2L2 Q16236 4/20 0.43
MTNR1A P48039 4/20 0.43
FLT3 P36888 1/20 0.43
APP P05067 1/20 0.42
MTNR1B P49286 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
CA9 Q16790 1/20 0.41
MMP13 P45452 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL2995539 0.84 ALDH1A1 (0.47) ALDH1A1PTPN1KEAP1NFE2L2MTNR1A
SCHEMBL4956387 0.77 ALDH1A1 (0.53) ALDH1A1PTPN1KEAP1NFE2L2MTNR1A
SCHEMBL646518 0.76 ALDH1A1 (0.54) ALDH1A1PTPN1KEAP1NFE2L2
SCHEMBL13523864 0.75 MTNR1A (0.74) MTNR1AMTNR1B
SCHEMBL13523859 0.74 MAOB (0.52) MTNR1AFLT3APPMTNR1BMMP13
SCHEMBL3917977 0.74 KEAP1 (0.50) ALDH1A1PTPN1KEAP1NFE2L2
SCHEMBL22412494 0.74 KEAP1 (0.52) KEAP1NFE2L2
SCHEMBL1731363 0.73 GAA (0.53) ALDH1A1KEAP1NFE2L2
SCHEMBL13523866 0.72 TRPM8 (0.53) MTNR1AMAOB
SCHEMBL3918404 0.72 ALDH1A1 (0.52) ALDH1A1PTPN1KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197744-A1 Organic Compounds BARNES DAVID 2010-08-05 US disclosed
EP-2155704-A1 THIADIAZOLE DERIVATIVES AS ANTIDIABETIC AGENTS Novartis Ag (CH) 2010-02-24 EP disclosed
WO-2008148744-A1 THIADIAZOLE DERIVATIVES AS ANTIDIABETIC AGENTS NOVARTIS AG (CH) 2008-12-11 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-20100197744-A1 Organic Compounds PTPRS, PTPRO, PTPRC ALDH1A1 3001/4885PTPN1 25/4885KEAP1 1378/4885

“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.