SCHEMBL2957586

SCHEMBL2957586

CS(=O)(=O)c1ccc(C(=O)N2CCC(N)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 12/20 0.61
CA1 P00915 12/20 0.61
CA2 P00918 12/20 0.61
CA7 P43166 12/20 0.61
CA9 Q16790 12/20 0.61
CA14 Q9ULX7 12/20 0.61
LMNA P02545 1/20 0.54
CYP3A4 P08684 1/20 0.51
SLC9A1 P19634 1/20 0.51
L3MBTL3 Q96JM7 2/20 0.50
MBTD1 Q05BQ5 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 1/20 0.48
HRH1 P35367 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47

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
SCHEMBL1136719 0.85 L3MBTL3 (0.59) CA12CA1CA2CA7CA9
Bromide SCHEMBL1136932 0.84 L3MBTL3 (0.58) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL1136918 0.84 L3MBTL3 (0.58) CA12CA1CA2CA7CA9
SCHEMBL23775472 0.81 CRHBP (0.51) CA12CA1CA2CA7CA9
SCHEMBL17277458 0.81 KMT2A (0.69) CA12CA1CA2CA7CA9
SCHEMBL2950903 0.80 LMNA (0.58) CA12CA1CA2CA7CA9
SCHEMBL13575475 0.79 MGLL (0.61) CA12CA1CA2CA7CA9
SCHEMBL23775674 0.79 MGLL (0.59) CA12CA1CA2CA7CA9
SCHEMBL15566282 0.78 SIGMAR1 (0.60) CA12CA1CA2CA7CA9
SCHEMBL3570536 0.78 CA12 (0.78) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
US-7767674-B2 Kinase inhibitors ELI LILLY AND COMPANY (US) 2010-08-03 US disclosed
US-7767674-B2 Kinase inhibitors ELI LILLY AND COMPANY (US) 2010-08-03 US disclosed
US-7767674-B2 Kinase inhibitors ELI LILLY AND COMPANY (US) 2010-08-03 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US disclosed
US-20080306068-A1 Suppression cytokines, tumor necrosis factor ELI LILLY AND COMPANY (US) 2008-12-11 US disclosed
US-20080306068-A1 Suppression cytokines, tumor necrosis factor ELI LILLY AND COMPANY (US) 2008-12-11 US disclosed
US-20080306068-A1 Suppression cytokines, tumor necrosis factor ELI LILLY AND COMPANY (US) 2008-12-11 US disclosed
EP-1761520-B1 KINASE INHIBITORS LILLY CO ELI (US) 2008-07-09 EP disclosed
EP-1761520-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2007-03-14 EP disclosed
WO-2006009741-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2006-01-26 WO disclosed
EP-1609789-A1 UREIDO-PYRAZOLE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2005-12-28 EP 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-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 CA12 4880/4885CA1 4878/4885CA2 4857/4885
US-20080306068-A1 Suppression cytokines, tumor necrosis factor TNF, TNFRSF1A, IL2 CA12 1571/4885CA1 1153/4885CA2 2028/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 CA12 4880/4885CA1 4878/4885CA2 4857/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 CA12 4880/4885CA1 4878/4885CA2 4857/4885

“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.