SCHEMBL4199747

SCHEMBL4199747

O=S(=O)(Nc1ccc(OC[C@H]2CO2)cc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 7/20 0.60
▸ MEN1 O00255 3/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ MAPT P10636 1/20 0.60
▸ PKM P14618 4/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ LMNA P02545 1/20 0.58
▸ GAA P10253 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ PGR P06401 3/20 0.56
▸ KEAP1 Q14145 2/20 0.50
▸ IL1RN P18510 1/20 0.50
▸ ERAP1 Q9NZ08 1/20 0.50
▸ RECQL P46063 1/20 0.48
▸ CACNA1B Q00975 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
SCHEMBL13948497 1.00 AR (0.60) ARMEN1KMT2AMAPTPKM
SCHEMBL6297248 0.81 ALDH1A1 (0.88) MEN1KMT2AMAPTPKMALDH1A1
SCHEMBL8781070 0.80 MMP2 (0.61) ARMEN1KMT2AMAPTPKM
SCHEMBL4199837 0.80 MMP2 (0.61) ARMEN1KMT2AMAPTPKM
SCHEMBL26966922 0.79 ALDH1A1 (0.59) ARMEN1KMT2AMAPTPKM
SCHEMBL11607635 0.78 TDP1 (0.71) MEN1KMT2AMAPTPKMALDH1A1
SCHEMBL8752425 0.77 MEN1 (0.97) ARMEN1KMT2AMAPTPKM
SCHEMBL17028904 0.75 TDP1 (1.00) MEN1KMT2AMAPTPKMALDH1A1
SCHEMBL1582872 0.75 TDP1 (1.00) MEN1KMT2AMAPTPKMALDH1A1
SCHEMBL1583161 0.75 TDP1 (1.00) MEN1KMT2AMAPTPKMALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1436258-A4 PH-DEPENDENT NMDA RECEPTOR ANTAGONISTS UNIV EMORY (US) 2005-03-23 — — EP claimed
US-20040138502-A1 Ph-dependent nmda receptor antagonists EMORY UNIVERSITY 2004-07-15 — — US claimed
EP-1436258-A2 PH-DEPENDENT NMDA RECEPTOR ANTAGONISTS Emory University (US) 2004-07-14 — — EP claimed
WO-2002072542-A2 PH-DEPENDENT NMDA RECEPTOR ANTAGONISTS EMORY UNIVERSITY (US) 2002-09-19 — — WO claimed
US-20090023791-A1 PH-dependent NMDA receptor antagonists EMORY UNIVERSITY (US) 2009-01-22 — — US disclosed
US-7375136-B2 pH-dependent NMDA receptor antagonists EMORY UNIVERSITY (US) 2008-05-20 — — US disclosed
EP-1436258-A4 PH-DEPENDENT NMDA RECEPTOR ANTAGONISTS UNIV EMORY (US) 2005-03-23 — — EP disclosed
US-20040138502-A1 Ph-dependent nmda receptor antagonists EMORY UNIVERSITY 2004-07-15 — — US disclosed
EP-1436258-A2 PH-DEPENDENT NMDA RECEPTOR ANTAGONISTS Emory University (US) 2004-07-14 — — EP disclosed
WO-2002072542-A2 PH-DEPENDENT NMDA RECEPTOR ANTAGONISTS EMORY UNIVERSITY (US) 2002-09-19 — — 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 (2 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-20090023791-A1 PH-dependent NMDA receptor antagonists GRIN1, GRIA4, GRIA1 AR 1652/4885MEN1 1097/4885KMT2A 259/4885
US-20040138502-A1 Ph-dependent nmda receptor antagonists GRIN1, GRIN2B, GRIN3A AR 1515/4885MEN1 2158/4885KMT2A 338/4885

“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.

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