SCHEMBL6826424

SCHEMBL6826424

O=C(O)CNCCCC(Oc1ccc(C(=O)c2nccs2)cc1)c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GCGR P47871 6/20 0.38
GCG P01275 4/20 0.38
SLC6A9 P48067 6/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SLC6A4 P31645 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38
RBBP9 O75884 1/20 0.37
CYP1A2 P05177 1/20 0.37
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL6823188 0.91 GCGR (0.38) GCGRGCGSLC6A9SLC6A4MAPT
SCHEMBL6826640 0.85 LTA4H (0.45) GCGRGCGSLC6A9CYP2D6CYP2C19
SCHEMBL6826677 0.83 SLC6A4 (0.43) GCGRGCGSLC6A9CYP2D6CYP2C19
SCHEMBL7214342 0.82 SLC6A4 (0.45) GCGRGCGSLC6A9CYP2D6CYP2C19
SCHEMBL6826423 0.80 SLC6A9 (0.62) SLC6A9CYP2D6CYP2C19ALDH1A1MAPT
SCHEMBL7208064 0.76 SLC6A4 (0.46) GCGRGCGSLC6A9SLC6A4HPGD
SCHEMBL6826259 0.76 SLC6A4 (0.39) GCGRGCGSLC6A9CYP2D6CYP2C19
SCHEMBL6823045 0.75 SLC6A4 (0.41) GCGRGCGSLC6A9SLC6A4
SCHEMBL6826621 0.74 SLC6A4 (0.45) SLC6A9CYP2D6CYP2C19SLC6A4CYP2C9
SCHEMBL6826141 0.73 SLC6A4 (0.51) SLC6A9CYP2D6CYP2C19ALDH1A1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1294677-B1 BENZOPHENONES AND SULFONES AS INHIBITORS OF GLYCINE UPTAKE PFIZER PROD INC (US) 2004-11-03 EP disclosed
EP-1294677-A1 BENZOPHENONES AND SULFONES AS INHIBITORS OF GLYCINE UPTAKE Pfizer Products Inc. (US) 2003-03-26 EP disclosed
US-6506780-B2 Benzophenones and sulfones as inhibitors of glycine uptake PFIZER INC. 2003-01-14 US disclosed
US-20020052401-A1 Benzophenones and sulfones as inhibitors of glycine uptake PFIZER INC. 2002-05-02 US disclosed
WO-2002000602-A1 BENZOPHENONES AND SULFONES AS INHIBITORS OF GLYCINE UPTAKE PFIZER PRODUCTS INC. (US) 2002-01-03 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 (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-20020052401-A1 Benzophenones and sulfones as inhibitors of glycine uptake SLC6A1, SLC6A5, SLC1A2 GCGR 326/4885GCG 588/4885SLC6A9 9/4885

“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.