SCHEMBL4200328

SCHEMBL4200328

CN(c1ccc(Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1)S(C)(=O)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 5/20 0.51
LMNA P02545 7/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
ALDH1A1 P00352 4/20 0.50
HTT P42858 4/20 0.50
FFAR1 O14842 1/20 0.50
GRIN1 Q05586 1/20 0.45
GRIN2B Q13224 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MMP2 P08253 3/20 0.43
MMP9 P14780 3/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
STAT3 P40763 1/20 0.42
NPC1 O15118 1/20 0.41

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
SCHEMBL6321497 0.85 PGR (0.54) PGRLMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL3467608 0.77 MAPT (0.63) LMNASMN1; SMN2ALDH1A1HTTMEN1
SCHEMBL25363203 0.76 L3MBTL1 (0.48) LMNASMN1; SMN2ALDH1A1HTTMEN1
SCHEMBL11356266 0.76 NPC1 (0.49) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL1916178 0.76 ALDH1A1 (0.52) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL16261615 0.76 LMNA (0.54) LMNASMN1; SMN2ALDH1A1FFAR1MEN1
SCHEMBL1662507 0.76 L3MBTL1 (0.41) LMNASMN1; SMN2ALDH1A1HTTMEN1
SCHEMBL9467120 0.76 NPSR1 (0.43) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6320855 0.76 ALDH1A1 (0.53) PGRLMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL16742988 0.75 GRIN1 (0.42) PGRLMNASMN1; SMN2ALDH1A1HTT

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
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 PGR 440/4885LMNA 538/4885SMN1; SMN2 312/4885
US-20040138502-A1 Ph-dependent nmda receptor antagonists GRIN1, GRIN2B, GRIN3A PGR 672/4885LMNA 1371/4885SMN1; SMN2 564/4885

“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.