SCHEMBL2295646

SCHEMBL2295646

O=S(=O)(Oc1ccc(Br)c(CBr)c1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 5/20 0.43
HTR1A P08908 4/20 0.43
HTR1B P28222 4/20 0.43
CA2 P00918 2/20 0.42
CA1 P00915 1/20 0.42
CXCR2 P25025 2/20 0.37
HSD11B1 P28845 1/20 0.36
DRD2 P14416 3/20 0.36
DRD3 P35462 3/20 0.36
CXCR1 P25024 1/20 0.36
DRD1 P21728 2/20 0.33
DRD4 P21917 2/20 0.33
DRD5 P21918 2/20 0.33
EPAS1 Q99814 1/20 0.33

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
SCHEMBL27777970 0.88 HTR1D (0.44) HTR1DHTR1AHTR1BCA2CA1
SCHEMBL2296280 0.80 ALDH1A1 (0.41) CA2
SCHEMBL2294107 0.79 DRD2 (0.33) HTR1DHTR1AHTR1BCA2CA1
SCHEMBL6139731 0.77 EPAS1 (0.46) HTR1DHTR1AHTR1BCA2CA1
SCHEMBL30569471 0.76 GPR3 (0.42)
SCHEMBL2291338 0.76 GPR3 (0.42)
SCHEMBL2293423 0.76 THRA (0.38) HTR1DHTR1AHTR1BCA2CA1
SCHEMBL2292266 0.73
SCHEMBL2290303 0.73 MEN1 (0.50) CA2
SCHEMBL4056753 0.73 CA1 (0.51) HTR1DHTR1AHTR1BCA2CA1

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-7994367-B2 Method for producing benzaldehyde compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-09 US disclosed
US-20100210879-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-08-19 US disclosed
EP-2149545-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-02-03 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-20100210879-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND NQO1, C9, TRPA1 HTR1D 488/4885HTR1A 658/4885HTR1B 598/4885

“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.