SCHEMBL5568997

SCHEMBL5568997

COc1ccc(S(=O)(=O)NCCCCCNc2nc(C)c(C(=O)c3ccccc3C)s2)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
PKM P14618 1/20 0.49
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
RORC P51449 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL5567942 0.92 KDM4E (0.48) ALDH1A1PKMRAB9ALMNAMEN1
SCHEMBL5564377 0.91 MEP1B (0.43) ALDH1A1RAB9ALMNAMEN1KMT2A
SCHEMBL5569155 0.90 ALDH1A1 (0.47) ALDH1A1PKMCCNA2CDK2RAB9A
SCHEMBL5568580 0.86 F13A1 (0.50) ALDH1A1CCNA2CDK2RAB9ANPC1
SCHEMBL5568892 0.85 ALDH1A1 (0.48) ALDH1A1PKMPOLBMEN1KMT2A
SCHEMBL5568769 0.84 KAT6A (0.42) ALDH1A1CCNA2CDK2RAB9ALMNA
SCHEMBL5569066 0.84 ALDH1A1 (0.49) ALDH1A1PKMPOLBMEN1KMT2A
SCHEMBL5564428 0.84 NPY5R (0.56) POLBMAPT
SCHEMBL5567833 0.83 NPY5R (0.49) ALDH1A1PKMRAB9ANPC1
SCHEMBL5565105 0.82 MAPK13 (0.48) ALDH1A1PKMPOLB

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 886/4885CCNA2 4439/4885

“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.