SCHEMBL4421366

SCHEMBL4421366

CC(C)(C)c1ccc(S(=O)(=O)N2CC3C(CNc4ccc(C(=O)N5CCOCC5)cc4)C3C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
GAA P10253 3/20 0.55
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KMT2A Q03164 3/20 0.52
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
MEN1 O00255 2/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.44
TP53 P04637 1/20 0.44
TRPV4 Q9HBA0 1/20 0.43
EPHX2 P34913 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL4421362 0.90 ALDH1A1 (0.56) ALDH1A1GAAMAPK1L3MBTL1KMT2A
SCHEMBL4420965 0.89 ALDH1A1 (0.53) ALDH1A1GAAMAPK1KMT2ACRHBP
SCHEMBL4425014 0.83 ALDH1A1 (0.52) ALDH1A1GAAMAPK1KMT2AMEN1
SCHEMBL4414552 0.81 TRPV4 (0.44) GAAL3MBTL1KMT2ACRHBPCRHR2
SCHEMBL4430225 0.80 HRH3 (0.51) ALDH1A1GAAMAPK1KMT2AMEN1
SCHEMBL2182456 0.79 ALDH1A1 (0.48) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL4419259 0.79 MAOB (0.53) ALDH1A1MAPK1KMT2AMEN1HPGD
SCHEMBL4420964 0.78 ALDH1A1 (0.53) ALDH1A1GAAMAPK1KMT2AMEN1
SCHEMBL4414858 0.77 CRHBP (0.43) ALDH1A1GAAKMT2ACRHBPCRHR2
SCHEMBL2169312 0.76 ALDH1A1 (0.45) ALDH1A1GAAMAPK1L3MBTL1KMT2A

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 3166/4885GAA 1239/4885MAPK1 2572/4885

“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.