SCHEMBL5456600

SCHEMBL5456600

CC(C)(C)c1cc(S(=O)(=O)Cc2ccc(-c3ccccc3)cc2)cc(C(C)(C)C)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
PTGS2 P35354 5/20 0.43
DAO P14920 1/20 0.41
SDHB P21912 1/20 0.41
PTPN1 P18031 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MAPT P10636 1/20 0.39
HSD17B2 P37059 1/20 0.39
MMP2 P08253 1/20 0.39
MMP7 P09237 1/20 0.39
MMP14 P50281 1/20 0.39
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
TNFRSF1A P19438 1/20 0.38
RORC P51449 1/20 0.38

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
SCHEMBL5450686 1.00 MEN1 (0.45) MEN1GAAKMT2APTGS2DAO
SCHEMBL5461655 0.85 PTGS2 (0.50) MEN1GAAKMT2APTGS2DAO
SCHEMBL5461659 0.85 PTGS2 (0.50) MEN1GAAKMT2APTGS2DAO
SCHEMBL5463544 0.84 MLNR (0.47) MEN1GAAKMT2ATSHRCA1
SCHEMBL5459294 0.83 MAPT (0.40) MEN1GAAKMT2ATSHRCA1
SCHEMBL5465687 0.83 MAOA (0.39) MEN1GAAKMT2APTGS2TSHR
SCHEMBL5450671 0.82 ESR2 (0.44) MEN1GAAKMT2APTGS2PTPN1
SCHEMBL5460065 0.78 TNFRSF1A (0.48) MEN1GAAKMT2APTGS2DAO
SCHEMBL5460063 0.78 TNFRSF1A (0.48) MEN1GAAKMT2APTGS2DAO
SCHEMBL5465032 0.77 TXNRD1 (0.44) CA1CA2MMP2MMP14MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070004799-A1 Novel compounds for the treatment of obesity NOVO NORDISK A/S (DK) 2007-01-04 US claimed
EP-1689707-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2006-08-16 EP claimed
WO-2005051900-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2005-06-09 WO claimed
US-20070004799-A1 Novel compounds for the treatment of obesity NOVO NORDISK A/S (DK) 2007-01-04 US disclosed
US-20070004799-A1 Novel compounds for the treatment of obesity NOVO NORDISK A/S (DK) 2007-01-04 US disclosed
US-20070004799-A1 Novel compounds for the treatment of obesity NOVO NORDISK A/S (DK) 2007-01-04 US disclosed
EP-1689707-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2006-08-16 EP disclosed
WO-2005051900-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2005-06-09 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-20070004799-A1 Novel compounds for the treatment of obesity GPR119, NR4A3, NR4A1 MEN1 4657/4885GAA 3558/4885KMT2A 2506/4885

“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.