SCHEMBL10165331

SCHEMBL10165331

O=C(/C=C/C(=O)N1CCSC1)N1CCSC1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.46
DPP8 Q6V1X1 4/20 0.46
DPP9 Q86TI2 4/20 0.46
DPP7 Q9UHL4 8/20 0.43
KCNH2 Q12809 1/20 0.41
TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL28341875 0.82 DPP4 (0.38) DPP4DPP8DPP9DPP7KCNH2
SCHEMBL10233868 0.82
SCHEMBL9640687 0.79 DPP4 (0.41) DPP4DPP8DPP9DPP7KCNH2
SCHEMBL27757963 0.77 DPP7 (0.47) DPP4DPP8DPP9DPP7KCNH2
SCHEMBL14818004 0.73
SCHEMBL3629899 0.73
SCHEMBL1811646 0.73
SCHEMBL7770099 0.73
SCHEMBL21872345 0.73 TRPV1 (0.40) DPP4DPP8DPP9TRPV1
SCHEMBL10178557 0.73 TRPV1 (0.43) DPP4DPP8DPP9TRPV1

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
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 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 (4 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-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 DPP4 139/4885DPP8 121/4885DPP9 72/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 DPP4 139/4885DPP8 121/4885DPP9 72/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 DPP4 139/4885DPP8 121/4885DPP9 72/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 DPP4 139/4885DPP8 121/4885DPP9 72/4885

“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.