SCHEMBL5564377

SCHEMBL5564377

COc1cccc(S(=O)(=O)NCCCCCNc2nc(C)c(C(=O)c3ccccc3C)s2)c1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 1/20 0.43
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 2/20 0.41
AKR1C3 P42330 1/20 0.41
NPC1 O15118 2/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
CYP2C9 P11712 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL5568997 0.91 ALDH1A1 (0.49) RAB9AALDH1A1NPC1LMNAMEN1
SCHEMBL5567942 0.90 KDM4E (0.48) RAB9AALDH1A1NPC1LMNAMEN1
SCHEMBL5568769 0.90 KAT6A (0.42) RAB9AALDH1A1LMNA
SCHEMBL5565867 0.85 MAPK13 (0.44) MEP1BAKR1C3NPC1
SCHEMBL5569155 0.85 ALDH1A1 (0.47) RAB9AALDH1A1NPC1LMNAMEN1
SCHEMBL5568580 0.84 F13A1 (0.50) RAB9AALDH1A1NPC1
SCHEMBL5568928 0.84 MAPK13 (0.45) MEP1BAKR1C3NPC1
SCHEMBL5564428 0.84 NPY5R (0.56)
SCHEMBL5568799 0.82 MEP1B (0.43) MEP1BALDH1A1AKR1C3
SCHEMBL5565863 0.82 MAPK13 (0.45) MEP1BNPC1

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
EP-1480976-B1 THIAZOLE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-09-19 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

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 MEP1B 3012/4885RAB9A 801/4885ALDH1A1 192/4885

“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.