SCHEMBL3398501

SCHEMBL3398501

CC[C@@H](C(=O)O)N(CCc1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 1/20 0.50
PTGER1 P34995 1/20 0.49
TAS2R14 Q9NYV8 5/20 0.48
ADAMTS5 Q9UNA0 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA9 Q16790 1/20 0.46
TP53 P04637 2/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.44
MMP9 P14780 2/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
MMP2 P08253 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
SCHEMBL3811847 1.00 BMP1 (0.50) BMP1PTGER1TAS2R14ADAMTS5CA12
SCHEMBL3394858 0.89 CA12 (0.48) ADAMTS5CA12CA1CA2CA4
SCHEMBL3394814 0.89 CA12 (0.48) ADAMTS5CA12CA1CA2CA4
SCHEMBL3805084 0.89 CA12 (0.48) ADAMTS5CA12CA1CA2CA4
SCHEMBL13069327 0.88 KEAP1 (0.54) BMP1PTGER1TAS2R14CA12CA1
SCHEMBL31287318 0.86 ADAMTS5 (0.60) TAS2R14ADAMTS5TP53ALDH1A1POLB
SCHEMBL7891103 0.82 BMP1 (0.53) BMP1PTGER1TAS2R14CA12CA1
SCHEMBL3397090 0.79 ALDH1A1 (0.62) BMP1TAS2R14CA12CA1CA2
SCHEMBL3398503 0.77 BMP1 (0.52) BMP1PTGER1TAS2R14CA12CA1
SCHEMBL3393112 0.77 CA12 (0.49) ADAMTS5CA12CA1CA2CA4

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 3594/4885PTGER1 402/4885TAS2R14 1565/4885

“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.