SCHEMBL5568580

SCHEMBL5568580

Cc1ccccc1C(=O)c1sc(NCCCCCNS(=O)(=O)c2ccccc2C)nc1C

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 1/20 0.50
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
NPY5R Q15761 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
SCHEMBL5567833 0.92 NPY5R (0.49) F13A1NPC1ALDH1A1RAB9ACA12
SCHEMBL5567942 0.90 KDM4E (0.48) F13A1NPC1ALDH1A1RAB9A
SCHEMBL5569155 0.87 ALDH1A1 (0.47) NPC1ALDH1A1RAB9ACCNA2CDK2
SCHEMBL5568997 0.86 ALDH1A1 (0.49) NPC1ALDH1A1RAB9ACCNA2CDK2
SCHEMBL5564428 0.86 NPY5R (0.56) NPY5R
SCHEMBL5564377 0.84 MEP1B (0.43) NPC1ALDH1A1RAB9A
SCHEMBL5568769 0.84 KAT6A (0.42) ALDH1A1RAB9ACCNA2CDK2
SCHEMBL14421814 0.83 NPC1 (0.48) NPC1ALDH1A1RAB9ACCNA2CDK2
Hydrochloric Acid SCHEMBL5564131 0.82 NPC1 (0.47) NPC1ALDH1A1RAB9ACCNA2CDK2
SCHEMBL5564554 0.82 F13A1 (0.52) F13A1CA12CA9NPY5R

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 F13A1 2828/4885NPC1 393/4885ALDH1A1 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.