SCHEMBL5744522

SCHEMBL5744522

COc1cc(F)c2ncc(Cl)c(OS(=O)(=O)C(F)(F)F)c2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.34
MDM2 Q00987 1/20 0.34
PDE10A Q9Y233 2/20 0.33
CTSA P10619 1/20 0.33
SLC40A1 Q9NP59 2/20 0.33
PDE2A O00408 1/20 0.31
HTR1A P08908 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
MEN1 O00255 1/20 0.30
PABPC1 P11940 1/20 0.30
KMT2A Q03164 1/20 0.30
ATF1 P18846 1/20 0.30
NFKB1 P19838 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
SCHEMBL5430342 0.79 LMNA (0.41) SLC2A1HTTMAPTNPSR1MEN1
SCHEMBL2919011 0.77 HTR1A (0.36) PDE10ASLC40A1PDE2AHTR1AHTR1D
SCHEMBL5746221 0.73 PDE10A (0.36) SLC2A1PDE10APDE2AMAPTNPSR1
SCHEMBL24755171 0.69 EGFR (0.39) SLC40A1HTTMAPTPDE4APDE4C
SCHEMBL22444605 0.69 ACHE (0.44) HTR1AHTR1DHTR1B
SCHEMBL1713657 0.68 ALDH1A1 (0.48) HTR1AHTR1DHTR1B
SCHEMBL7367391 0.68 ADORA2A (0.44) ATF1NFKB1
SCHEMBL31040055 0.68 MTNR1A (0.39) HTR1AHTR1DHTR1B
SCHEMBL18795482 0.68 ERN1 (0.36) KMT2A
SCHEMBL24861740 0.67 TAAR1 (0.35) HTR1AHTR1DHTR1BKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578743-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2006-11-29 EP disclosed
US-20060041123-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-02-23 US disclosed
EP-1578743-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-09-28 EP disclosed
WO-2004058144-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-07-15 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-20060041123-A1 Antibacterial agents NQO2, NRDC, IFNG SLC2A1 4409/4885MDM2 2089/4885PDE10A 4240/4885

“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.