SCHEMBL4222649

SCHEMBL4222649

CC(=C1SC(=O)NC1=O)c1ccc(OCCOc2c(-c3ccccc3F)n(C)c3ccccc3c2=O)c(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
HPGD P15428 10/20 0.33
PLA2G2A P14555 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BRD4 O60885 2/20 0.33
HTT P42858 1/20 0.33
XBP1 P17861 1/20 0.33
CISD1 Q9NZ45 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
THRB P10828 1/20 0.31
PLA2G1B P04054 1/20 0.31
HSP90AA1 P07900 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31

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
SCHEMBL4222648 1.00 MGAM (0.34) MGAMGAASIMGAM2HPGD
SCHEMBL4039778 0.90 L3MBTL1 (0.37) MGAMGAASIMGAM2HPGD
SCHEMBL14011579 0.90 L3MBTL1 (0.37) MGAMGAASIMGAM2HPGD
SCHEMBL4044326 0.90 L3MBTL1 (0.37) MGAMGAASIMGAM2HPGD
SCHEMBL4039459 0.87 BRD4 (0.37) HPGDPLA2G2AL3MBTL1BRD4HTT
SCHEMBL4039456 0.87 BRD4 (0.37) HPGDPLA2G2AL3MBTL1BRD4HTT
SCHEMBL4209704 0.85 BRD4 (0.39) HPGDPLA2G2AL3MBTL1BRD4HTT
SCHEMBL5044658 0.83 BRD4 (0.36) PLA2G2AL3MBTL1BRD4HTT
SCHEMBL5044656 0.83 BRD4 (0.36) PLA2G2AL3MBTL1BRD4HTT
SCHEMBL4046139 0.83 L3MBTL1 (0.37) PLA2G2AL3MBTL1BRD4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678157-A4 HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THEREOF REDDY US THERAPEUTICS INC (US) 2009-03-18 EP disclosed
US-7456288-B2 Heterocyclic compounds and methods of making and using thereof REDDY US THERAPEUTICS, INC. (US) 2008-11-25 US disclosed
EP-1678157-A2 HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THEREOF Reddy US Therapeutics, Inc. (US) 2006-07-12 EP disclosed
US-20050119269-A1 Heterocyclic compounds and methods of making and using thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-06-02 US disclosed
WO-2005042712-A2 HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THEREOF REDDY US THERAPEUTICS, INC. (US) 2005-05-12 WO disclosed
WO-2005040163-A1 HETEROCYCLIC COMPOUNDS THAT BLOCK THE EFFECTS OF ADVANCED GLYCATION END PRODUCTS (AGE) DR. REDDY'S LABORATORIES LTD (IN) 2005-05-06 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-20050119269-A1 Heterocyclic compounds and methods of making and using thereof PYGM, MYLK, HMOX1 MGAM 1435/4885GAA 529/4885SI 473/4885

“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.