SCHEMBL3393154

SCHEMBL3393154

COc1ccc2c(c1)CCN(S(=O)(=O)c1ccc(C)cc1)[C@@H](C)C2=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
LMNA P02545 4/20 0.48
MAPT P10636 3/20 0.48
RYR2 Q92736 1/20 0.46
MMP1 P03956 3/20 0.45
MMP2 P08253 3/20 0.45
MMP9 P14780 3/20 0.45
MMP12 P39900 3/20 0.45
MMP14 P50281 3/20 0.45
MMP15 P51511 3/20 0.45
MMP16 P51512 3/20 0.45
MMP26 Q9NRE1 3/20 0.45
TAS2R14 Q9NYV8 2/20 0.45
MMP7 P09237 2/20 0.44
ALDH1A1 P00352 4/20 0.43

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
SCHEMBL3393158 1.00 MEN1 (0.60) MEN1KMT2ACA1CA2CA9
SCHEMBL3396630 0.84 MMP1 (0.61) MEN1KMT2ALMNAMAPTMMP1
SCHEMBL3392249 0.84 MMP1 (0.61) MEN1KMT2ALMNAMAPTMMP1
SCHEMBL3392244 0.84 MMP1 (0.61) MEN1KMT2ALMNAMAPTMMP1
SCHEMBL29051842 0.82 CYP24A1 (0.49) MEN1KMT2ACA1CA2CA9
SCHEMBL29051763 0.82 KMT2A (0.44) MEN1KMT2ALMNAMAPTRYR2
SCHEMBL29052386 0.79 MEN1 (0.57) MEN1KMT2ACA1CA2CA9
SCHEMBL1017072 0.77 RYR2 (0.58) LMNARYR2ALDH1A1KDM4ETSHR
SCHEMBL3396587 0.76 MEN1 (0.62) MEN1KMT2ACA1CA2CA9
SCHEMBL3396588 0.76 MEN1 (0.62) MEN1KMT2ACA1CA2CA9

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 7 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
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 MEN1 4570/4885KMT2A 1098/4885CA1 1009/4885

“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.