SCHEMBL4552446

SCHEMBL4552446

COc1cc(C)ccc1S(=O)(=O)N1CC2C(C1)C2C(=O)Nc1ccc(N2CCOCC2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.47
ALDH1A1 P00352 5/20 0.46
HTT P42858 4/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 3/20 0.46
KDM4E B2RXH2 1/20 0.46
MTOR P42345 1/20 0.45
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45
RAB9A P51151 1/20 0.44
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 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
SCHEMBL4417870 0.86 ALDH1A1 (0.53) ALDH1A1HTTMAPTLMNARAB9A
SCHEMBL4552447 0.85 MCOLN3 (0.42) EPHX2ALDH1A1HTTMAPTLMNA
SCHEMBL4413581 0.83 RAB9A (0.53) ALDH1A1LMNAKDM4EHCRTR1HCRTR2
SCHEMBL4426203 0.81 KMT2A (0.47) EPHX2ALDH1A1HTTMAPTLMNA
SCHEMBL4430192 0.80 MCOLN3 (0.44) ALDH1A1HTTMAPTLMNAPOLB
SCHEMBL6501565 0.79 LMNA (0.48) ALDH1A1HTTMAPTLMNAMTOR
SCHEMBL4417779 0.78 KMT2A (0.49) ALDH1A1HTTMAPTKDM4ERAB9A
SCHEMBL4414453 0.77 EPHX2 (0.54) EPHX2ALDH1A1HTTLMNAKDM4E
SCHEMBL4425056 0.77 KMT2A (0.48) ALDH1A1MAPTLMNARAB9ASMN1; SMN2
SCHEMBL4421514 0.77 MAPT (0.47) EPHX2ALDH1A1HTTMAPTLMNA

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 7 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

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 EPHX2 3183/4885ALDH1A1 3166/4885HTT 1090/4885

“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.