SCHEMBL4415026

SCHEMBL4415026

O=[N+]([O-])c1ccc(S(=O)(=O)N2CC3C(CNc4ccc(N5CCOCC5)c(F)c4)C3C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
MAPT P10636 1/20 0.47
PIK3CA P42336 1/20 0.45
MTOR P42345 1/20 0.45
SLC6A9 P48067 1/20 0.45
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 2/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL4419968 0.90 L3MBTL1 (0.46) ALDH1A1PIK3CAMTORMEN1KMT2A
SCHEMBL4417872 0.88 ALDH1A1 (0.45) ALDH1A1MAPTPIK3CAMTORMEN1
SCHEMBL4425190 0.88 MEN1 (0.46) ALDH1A1MAPTPIK3CAMTORMEN1
SCHEMBL4414933 0.88 KMT2A (0.43) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL4415523 0.88 L3MBTL1 (0.44) ALDH1A1PIK3CAMTORMEN1KMT2A
SCHEMBL4423693 0.87 MAPK1 (0.44) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL4414455 0.87 EPHX2 (0.48) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL4418890 0.87 MEN1 (0.47) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL4425270 0.86 ALDH1A1 (0.44) ALDH1A1SLC6A9MEN1KMT2AMAPK1
SCHEMBL4417782 0.86 MAPT (0.45) ALDH1A1MAPTMEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680124-B1 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PROD INC (US) 2017-05-31 EP claimed
EP-1680124-A4 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PROD INC (US) 2009-05-13 EP claimed
JP-2007508374-A 2007-04-05 JP claimed
EP-1680124-A2 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS Pfizer Products Incorporated (US) 2006-07-19 EP claimed
US-20050096375-A1 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors PFIZER INC. 2005-05-05 US claimed
WO-2005037216-A2 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PRODUCTS INC. (US) 2005-04-28 WO claimed
EP-1680124-B1 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PROD INC (US) 2017-05-31 EP disclosed
US-7473787-B2 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors PFIZER INC (US) 2009-01-06 US disclosed
US-20050096375-A1 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors PFIZER INC. 2005-05-05 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 (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-20050096375-A1 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors SLC6A5, SLC1A5, SLC6A3 ALDH1A1 3166/4885MAPT 1368/4885PIK3CA 3818/4885

“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.