SCHEMBL6396649

SCHEMBL6396649

CCN(CC)CC(O)CNS(=O)(=O)c1ccc(N)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.51
CA2 P00918 9/20 0.51
CA12 O43570 8/20 0.51
CA9 Q16790 8/20 0.51
CYP2D6 P10635 1/20 0.46
CYP3A4 P08684 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 1/20 0.44
GFER P55789 1/20 0.44
SIGMAR1 Q99720 2/20 0.43
GAA P10253 1/20 0.43
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42

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
SCHEMBL6400402 0.83 ALDH1A1 (0.46) CA1CA2CA12CA9ALDH1A1
SCHEMBL2789329 0.79 CYP3A4 (0.53) CA1CA2CA12CA9CYP2D6
SCHEMBL6789998 0.77 CA1 (0.57) CA1CA2CA12CA9CYP2D6
SCHEMBL6789995 0.77 CA1 (0.57) CA1CA2CA12CA9CYP2D6
SCHEMBL1674212 0.75 SIGMAR1 (0.74) CA1CA2CA12CA9CYP2D6
SCHEMBL4850035 0.75 BCL2 (0.39) CYP2D6CYP3A4ALDH1A1MAPK1GFER
SCHEMBL6790764 0.74 ALDH1A1 (0.67) CA1CA2CA12CA9CYP2D6
SCHEMBL9492210 0.72 USP2 (0.70) CA1CA2CA12CA9CYP2D6
SCHEMBL923761 0.71 CA1 (0.72) CA1CA2CA12CA9CYP2D6
Sulfacetamide SCHEMBL28653550 0.71 SMN1; SMN2 (0.78) CA1CA2CA12CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050267152-A1 Gly1 transporter inhibitors and uses thereof in treatment of neurological and neuropsychiatric disorders MDS INC., DOING BUSINESS AS MDS SCIEX (CA) 2005-12-01 US claimed
EP-1455777-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SMITHKLINE BEECHAM PLC (GB) 2004-09-15 EP claimed
WO-2003055478-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2003-07-10 WO claimed
US-20050267152-A1 Gly1 transporter inhibitors and uses thereof in treatment of neurological and neuropsychiatric disorders MDS INC., DOING BUSINESS AS MDS SCIEX (CA) 2005-12-01 US disclosed
EP-1455777-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SMITHKLINE BEECHAM PLC (GB) 2004-09-15 EP disclosed
WO-2003055478-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2003-07-10 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-20050267152-A1 Gly1 transporter inhibitors and uses thereof in treatment of neurological and neuropsychiatric disorders SLC1A2, SLC1A1, SLC18A2 CA1 1328/4885CA2 2085/4885CA12 3218/4885

“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.