SCHEMBL4293392

SCHEMBL4293392

O=C(O)c1nccnc1NCCSC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 5/20 0.47
KIF11 P52732 12/20 0.42
ASPH Q12797 3/20 0.38
KDM8 Q8N371 3/20 0.38
KDM4E B2RXH2 2/20 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
SCHEMBL4288771 0.99 SIRT2 (0.46) SIRT2KIF11ASPHKDM8KDM4E
Lithium Ion SCHEMBL4288767 0.89 SIRT2 (0.44) SIRT2KIF11
SCHEMBL4295736 0.88 SIRT2 (0.43) SIRT2KIF11
SCHEMBL4297348 0.83 SIRT2 (0.49) SIRT2KIF11KDM4E
SCHEMBL4296812 0.82 SIRT2 (0.48) SIRT2KIF11KDM4E
Lithium Ion SCHEMBL4296808 0.78 SIRT2 (0.46) SIRT2KIF11KDM4E
SCHEMBL4756158 0.77 L3MBTL1 (0.46) SIRT2KIF11KDM4E
SCHEMBL4297412 0.76 AGTR1 (0.42) SIRT2KIF11KDM4E
SCHEMBL4301697 0.75 AGTR1 (0.41) SIRT2KIF11KDM4E
SCHEMBL4295739 0.74 HTT (0.56) SIRT2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006091506-A2 NEUROPEPTIDE Y4 RECEPTOR AGONISTS BAYER PHARMACEUTICALS CORPORATION (US) 2006-08-31 WO claimed
US-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use BAYER PHARMACEUTICALS CORPORATION (US) 2009-11-12 US disclosed
US-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use BAYER PHARMACEUTICALS CORPORATION (US) 2009-11-12 US disclosed
EP-1896048-A2 PITUITARY ADENYLATE CYCLASE ACTIVATING PEPTIDE (PACAP) RECEPTOR (VPAC2) AGONISTS AND THEIR PHARMACOLOGICAL METHODS OF USE Bayer Pharmaceuticals Corporation (US) 2008-03-12 EP disclosed
EP-1883419-A2 GLUCAGON-LIKE PEPTIDE 1 (GLP-1) RECEPTOR AGONISTS AND THEIR PHARMACOLOGICAL METHODS OF USE Bayer Pharmaceuticals Corporation (US) 2008-02-06 EP disclosed
WO-2006121588-A2 PITUITARY ADENYLATE CYCLASE ACTIVATING PEPTIDE (PACAP) RECEPTOR (VPAC2) AGONISTS AND THEIR PHARMACOLOGICAL METHODS OF USE BAYER PHARMACEUTICALS CORPORATION (US) 2006-11-16 WO disclosed
WO-2006121860-A2 GLUCAGON-LIKE PEPTIDE 1 (GLP-1) RECEPTOR AGONISTS AND THEIR PHARMACOLOGICAL METHODS OF USE BAYER PHARMACEUTICALS CORPORATION (US) 2006-11-16 WO disclosed
WO-2006091506-A2 NEUROPEPTIDE Y4 RECEPTOR AGONISTS BAYER PHARMACEUTICALS CORPORATION (US) 2006-08-31 WO disclosed
WO-2006049681-A2 SELECTIVE NEUROPEPTIDE Y2 RECEPTOR AGONISTS BAYER PHARMACEUTICALS CORPORATION (US) 2006-05-11 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-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use ADCYAP1R1, VIPR2, ADCY2 SIRT2 260/4885KIF11 4592/4885ASPH 1549/4885

“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.