SCHEMBL3392200

SCHEMBL3392200

Cc1ccc(S(=O)(=O)NC(C)(C)C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
MMP1 P03956 2/20 0.53
MMP2 P08253 2/20 0.53
MMP9 P14780 2/20 0.53
MMP13 P45452 2/20 0.53
MMP8 P22894 1/20 0.53
LMNA P02545 2/20 0.51
POLB P06746 1/20 0.51
GAA P10253 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
F2 P00734 1/20 0.49
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CA12 O43570 1/20 0.47
CA9 Q16790 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
SCHEMBL10402270 0.85 BCAT1 (0.50) ALDH1A1CA1CA2MMP1MMP2
SCHEMBL14676210 0.84 MMP1 (0.61) ALDH1A1CA1CA2MMP1MMP2
SCHEMBL14676772 0.84 ALDH1A1 (0.58) ALDH1A1CA1CA2MEN1KMT2A
SCHEMBL14676570 0.84 MMP2 (0.52) CA1CA2MMP1MMP2MMP9
SCHEMBL14676363 0.84 MMP2 (0.52) ALDH1A1CA1CA2MMP1MMP2
SCHEMBL14675960 0.83 ADAMTS4 (0.54) CA1CA2MMP1MMP2MMP9
SCHEMBL5564217 0.83 CA12 (0.55) ALDH1A1CA1CA2LMNASMN1; SMN2
SCHEMBL5899419 0.82 ALDH1A1 (0.49) ALDH1A1CA1CA2MMP1MMP2
SCHEMBL14676471 0.82 SLC1A3 (0.46) ALDH1A1CA1CA2MMP1MMP2
SCHEMBL6968304 0.81 MMP2 (0.57) ALDH1A1CA1CA2MMP1MMP2

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-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
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 ALDH1A1 2771/4885CA1 1009/4885CA2 3189/4885

“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.