SCHEMBL5564645

SCHEMBL5564645

COc1ccc(S(=O)(=O)NCCCCCNc2ncc(C(=O)c3ccccn3)s2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
PKM P14618 1/20 0.48
CCR9 P51686 1/20 0.46
RAF1 P04049 1/20 0.44
BRAF P15056 1/20 0.44
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
GRM4 Q14833 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPY5R Q15761 2/20 0.43
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42

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
SCHEMBL5567790 0.91 NPC1 (0.47) GAAGRM4NPY5R
SCHEMBL5565223 0.90 F13A1 (0.50) ALDH1A1PKMLMNAGAANPY5R
SCHEMBL6876632 0.88 PTGS1 (0.47) ALDH1A1PKMRAF1BRAFLMNA
SCHEMBL5568892 0.86 ALDH1A1 (0.48) ALDH1A1PKMMEN1KMT2A
SCHEMBL5569715 0.85 MAPK13 (0.60) ALDH1A1PKMMEN1KMT2A
SCHEMBL5569066 0.85 ALDH1A1 (0.49) ALDH1A1PKMMEN1KMT2A
SCHEMBL5565105 0.83 MAPK13 (0.48) ALDH1A1PKMRAF1BRAF
SCHEMBL5565191 0.83 F13A1 (0.52) NPY5R
SCHEMBL5564279 0.82 NPY5R (0.44) ALDH1A1RAF1BRAFNPY5R
SCHEMBL5568818 0.82 MAPK13 (0.61) ALDH1A1PKMMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1480976-B1 THIAZOLE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-09-19 EP disclosed
EP-1480976-A1 THIAZOLE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2004-12-01 EP disclosed
US-6686381-B2 COMPOUNDS THAT ANTAGONIZE NEUROPEPTIDE Y AT THE Y5 RECEPTOR SUBTYPE REPRESENT AN APPROACH TO THE TREATMENT OF EATING DISORDERS SUCH AS OBESITY AND HYPERPHAGIA HOFFMANN-LA ROCHE INC. 2004-02-03 US disclosed
US-20030225141-A1 THIAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. 2003-12-04 US disclosed
WO-2003072577-A1 THIAZOLE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2003-09-04 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-20030225141-A1 THIAZOLE DERIVATIVES SLC5A1, GPR119, TAS1R1 ALDH1A1 192/4885PKM 886/4885CCR9 2158/4885

“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.