SCHEMBL3396630

SCHEMBL3396630

Cc1ccc(S(=O)(=O)N2CCc3cc(OCc4ccccc4)ccc3C(=O)[C@H]2C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.61
MMP2 P08253 3/20 0.61
MMP7 P09237 3/20 0.61
MMP9 P14780 3/20 0.61
MMP12 P39900 3/20 0.61
MMP14 P50281 3/20 0.61
MMP15 P51511 3/20 0.61
MMP16 P51512 3/20 0.61
MMP26 Q9NRE1 3/20 0.61
MAOA P21397 3/20 0.48
MAOB P27338 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CD4 P01730 2/20 0.47
HRH3 Q9Y5N1 3/20 0.47
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
RECQL P46063 1/20 0.45
TUBB4A P04350 1/20 0.45

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
SCHEMBL3392244 1.00 MMP1 (0.61) MMP1MMP2MMP7MMP9MMP12
SCHEMBL3392249 1.00 MMP1 (0.61) MMP1MMP2MMP7MMP9MMP12
SCHEMBL3393158 0.84 MEN1 (0.60) MMP1MMP2MMP7MMP9MMP12
SCHEMBL3393154 0.84 MEN1 (0.60) MMP1MMP2MMP7MMP9MMP12
SCHEMBL3422819 0.83 MAOB (0.54) MMP1MMP2MMP7MMP9MMP12
SCHEMBL3422815 0.83 MAOB (0.54) MMP1MMP2MMP7MMP9MMP12
SCHEMBL3393334 0.81 MMP1 (0.52) MMP1MMP2MMP7MMP9MMP12
SCHEMBL3393332 0.81 MMP1 (0.52) MMP1MMP2MMP7MMP9MMP12
SCHEMBL3394851 0.81 MMP1 (0.52) MMP1MMP2MMP7MMP9MMP12
SCHEMBL3398104 0.80 CD4 (0.60) MMP1MMP2MMP7MMP9MMP12

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-20180250308-A1 NR2B SELECTIVE NMDA-RECEPTOR ANTAGONISTS FOR TREATMENT OF IMMUNE-MEDIATED INFLAMMATORY DISEASES WESTFALISCHE WILHELMS-UNIVERSITAT MUNSTER (DE) 2018-09-06 US disclosed
EP-3344257-A1 NR2B SELECTIVE NMDA-RECEPTOR ANTAGONISTS FOR TREATMENT OF IMMUNE-MEDIATED INFLAMMATORY DISEASES Westfälische Wilhelms-Universität Münster (DE) 2018-07-11 EP disclosed
WO-2017036880-A1 NR2B SELECTIVE NMDA-RECEPTOR ANTAGONISTS FOR TREATMENT OF IMMUNE-MEDIATED INFLAMMATORY DISEASES Westfälische Wilhelms-Universität Münster (DE) 2017-03-09 WO disclosed
EP-2246331-A1 NR2B-selective NMDA-receptor antagonists Westfälische Wilhelms-Universität Münster (DE) 2010-11-03 EP disclosed
EP-2246331-A1 NR2B-selective NMDA-receptor antagonists Westfälische Wilhelms-Universität Münster (DE) 2010-11-03 EP disclosed
WO-2010122134-A1 NR2B-SELECTIVE NMDA-RECEPTOR ANTAGONISTS Westfälische Wilhelms Universität Münster (DE) 2010-10-28 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-20180250308-A1 NR2B SELECTIVE NMDA-RECEPTOR ANTAGONISTS FOR TREATMENT OF IMMUNE-MEDIATED INFLAMMATORY DISEASES GRIN1, GRIN2B, GRIN3B MMP1 4491/4885MMP2 4755/4885MMP7 3598/4885

“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.