SCHEMBL11297866

SCHEMBL11297866

CNS(=O)(=O)C(Cc1ccc(Cl)cc1)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
PTGES2 Q9H7Z7 2/20 0.41
SLC6A4 P31645 1/20 0.41
CA2 P00918 2/20 0.40
ACACB O00763 1/20 0.40
CTSC P53634 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39

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
SCHEMBL8661385 0.84 EPHX1 (0.47) CYP2C19PTGES2NPC1ALDH1A1CYP1A2
SCHEMBL11302262 0.81 SLC6A4 (0.46) CYP2C19CYP2C9SLC6A2SLC6A3PTGES2
SCHEMBL11297984 0.79 CYP2C9 (0.41) CYP2C19CYP2C9SLC6A2SLC6A3PTGES2
SCHEMBL2738906 0.74 CYP2C19 (0.47) CYP2C19CYP2C9SLC6A2SLC6A3SLC6A4
SCHEMBL7971029 0.74 CYP2C19 (0.47) CYP2C19CYP2C9SLC6A2SLC6A3SLC6A4
SCHEMBL11295524 0.73 ITGB3 (0.47) CYP2C19CYP2C9SLC6A2SLC6A3SLC6A4
SCHEMBL6077436 0.71 SLC6A4 (0.54) CYP2C19CYP2C9SLC6A2SLC6A3SLC6A4
SCHEMBL7012783 0.71 PTPRB (0.44) CA2ACACBCA1CA9KDM4E
SCHEMBL8658263 0.71 EPHX1 (0.46) PTGES2CA2CA1NPC1ALDH1A1
SCHEMBL4816907 0.70 SLC6A4 (0.41) CYP2C19CYP2C9SLC6A2SLC6A3SLC6A4

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-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-12-18 US disclosed
US-8759334-B2 Compounds useful for the treatment of metabolic and inflammatory diseases GALAPAGOS NV (BE) 2014-06-24 US disclosed
EP-2665704-A1 AZETIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES Galapagos NV (BE) 2013-11-27 EP disclosed
US-20130303515-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2013-11-14 US disclosed
WO-2012098033-A1 AZETIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2012-07-26 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 (2 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-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GOT2, GPR119, PC CYP2C19 1735/4885CYP2C9 2924/4885SLC6A2 4384/4885
US-20130303515-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GOT2, GPR119, PC CYP2C19 1735/4885CYP2C9 2924/4885SLC6A2 4384/4885

“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.