SCHEMBL3398503

SCHEMBL3398503

COc1cccc(CCN(C(C)(C)C(=O)O)S(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 1/20 0.52
TAS2R14 Q9NYV8 5/20 0.50
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA9 Q16790 1/20 0.47
TP53 P04637 2/20 0.47
PTGER1 P34995 1/20 0.46
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.45
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
AOC3 Q16853 1/20 0.43
PKM P14618 1/20 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
SCHEMBL3394818 0.89 CA12 (0.49) CA12CA1CA2CA4CA9
SCHEMBL3397090 0.81 ALDH1A1 (0.62) BMP1TAS2R14CA12CA1CA2
SCHEMBL20983530 0.80 BMP1 (0.51) BMP1TAS2R14CA12CA1CA2
SCHEMBL13069327 0.79 KEAP1 (0.54) BMP1TAS2R14CA12CA1CA2
SCHEMBL3398501 0.77 BMP1 (0.50) BMP1TAS2R14CA12CA1CA2
SCHEMBL3811847 0.77 BMP1 (0.50) BMP1TAS2R14CA12CA1CA2
SCHEMBL7886751 0.76 BMP1 (0.58) BMP1TAS2R14CA12CA1CA2
SCHEMBL7891103 0.76 BMP1 (0.53) BMP1TAS2R14CA12CA1CA2
SCHEMBL29051790 0.76 BMP1 (0.46) BMP1TAS2R14CA1CA2CA9
SCHEMBL6665276 0.75 GRM2 (0.53) BMP1TAS2R14CA1CA2CA9

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 BMP1 3594/4885TAS2R14 1565/4885CA12 2055/4885

“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.