Sugi Predict

Sugi Predict / Compounds / SCHEMBL2026331

SCHEMBL2026331

SCHEMBL2026331

CS(=O)(=O)Nc1ccc(OCC(O)CNC/C=C/c2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 7/20 0.66
▸ GRIN1 Q05586 2/20 0.66
▸ GRIN2B Q13224 2/20 0.66
▸ SLC6A2 P23975 1/20 0.66
▸ SLC6A3 Q01959 1/20 0.66
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ ADRB2 P07550 2/20 0.52
▸ ADRB1 P08588 2/20 0.52
▸ ADRB3 P13945 2/20 0.52

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
SCHEMBL2026333 1.00 KCNH2 (0.66) KCNH2GRIN1GRIN2BSLC6A2SLC6A3
SCHEMBL2026335 1.00 KCNH2 (0.66) KCNH2GRIN1GRIN2BSLC6A2SLC6A3
SCHEMBL2018556 0.86 KCNH2 (0.66) KCNH2GRIN1GRIN2BSLC6A2SLC6A3
SCHEMBL2018559 0.86 KCNH2 (0.66) KCNH2GRIN1GRIN2BSLC6A2SLC6A3
SCHEMBL2018558 0.86 KCNH2 (0.66) KCNH2GRIN1GRIN2BSLC6A2SLC6A3
SCHEMBL1422844 0.80 KCNH2 (0.76) KCNH2GRIN1GRIN2BSLC6A2SLC6A3
SCHEMBL1422256 0.80 KCNH2 (0.76) KCNH2GRIN1GRIN2BSLC6A2SLC6A3
SCHEMBL1422843 0.80 KCNH2 (0.76) KCNH2GRIN1GRIN2BSLC6A2SLC6A3
SCHEMBL2023218 0.79 KCNH2 (0.70) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15436933 0.79 KCNH2 (0.70) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9

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
EP-2170334-B1 NMDA RECEPTOR ANTAGONISTS FOR NEUROPROTECTION UNIV EMORY (US) 2021-03-17 — — EP disclosed
US-9079852-B2 NMDA receptor antagonists for neuroprotection EMORY UNIVERSITY (US) 2015-07-14 — — US disclosed
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection LIOTTA DENNIS C (US) 2014-01-30 — — US disclosed
US-8420680-B2 NMDA receptor antagonists for neuroprotection EMORY UNIVERSITY (US) 2013-04-16 — — US disclosed
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders EMORY UNIVERSITY 2011-06-30 — — US disclosed
US-20090253710-A1 NMDA Receptor Antagonists for Neuroprotection EMORY UNIVERSITY 2009-10-08 — — US 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 (3 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-20090253710-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 KCNH2 137/4885GRIN1 1/4885GRIN2B 7/4885
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders GRIN2A, GRIN2B, GRIN1 KCNH2 469/4885GRIN1 3/4885GRIN2B 2/4885
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 KCNH2 135/4885GRIN1 1/4885GRIN2B 7/4885

“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.