SCHEMBL5377313

SCHEMBL5377313

COC(=O)C1=CNC(C(=O)O)=CSC1Cc1cn2c(nc3ccccc32)s1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
DRD2 P14416 1/20 0.31
TBXA2R P21731 1/20 0.31
PTGDR2 Q9Y5Y4 2/20 0.30
KDM4E B2RXH2 2/20 0.30
CASP1 P29466 1/20 0.30

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
SCHEMBL5371212 0.82 HCAR2 (0.42) ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL5386352 0.78 NR4A2 (0.31)
SCHEMBL5382083 0.71
SCHEMBL5372902 0.71 PDE10A (0.36) ALDH1A1HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL5377773 0.69 KDM4E (0.33) ALDH1A1HPGDMAPTKDM4E
SCHEMBL5382021 0.67 POLB (0.30)
SCHEMBL5438787 0.67 TPH1 (0.35) HPGDHSD17B10
SCHEMBL5375371 0.67 PRMT5 (0.32)
SCHEMBL5365189 0.67
SCHEMBL5369091 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232582-A1 4-substituted or unsubtituted-7-hydro-1,4-thiazepine-7-[bicyclic or tricyclic heteroaryl] substituted-3,6-dicarboxylic acid derivatives as beta-lactamase inhibitors WYETH HOLDINGS CORPORATION (US) 2007-10-04 US disclosed
US-7229983-B2 4-substituted or unsubstituted-7-hydro-1,4-thiazepine-7-[bicyclic or tricyclic heteroaryl] substituted-3,6-dicarboxylic acid derivatives as β-lactamase inhibitors WYETH HOLDINGS CORPORATION (US) 2007-06-12 US disclosed
US-20040214812-A1 4-Substituted or unsubstituted-7-hydro-1,4-thiazepine-7-[bicyclic or tricyclic heteroaryl] substituted-3,6-dicarboxylic acid derivatives as beta-lactamase inhibitors WYETH HOLDINGS CORPORATION (US) 2004-10-28 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 (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-20040214812-A1 4-Substituted or unsubstituted-7-hydro-1,4-thiazepine-7-[bicyclic or tricyclic heteroaryl] substituted-3,6-dicarboxylic acid derivatives as beta-lactamase inhibitors DDC, AADAC, ALDH7A1 ALDH1A1 84/4885HPGD 656/4885HSD17B10 87/4885
US-20070232582-A1 4-substituted or unsubtituted-7-hydro-1,4-thiazepine-7-[bicyclic or tricyclic heteroaryl] substituted-3,6-dicarboxylic acid derivatives as beta-lactamase inhibitors DDC, AADAC, ALDH7A1 ALDH1A1 76/4885HPGD 642/4885HSD17B10 86/4885

“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.