SCHEMBL7602878

SCHEMBL7602878

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
HTR1D P28221 5/20 0.41
HTR1A P08908 4/20 0.41
HTR1B P28222 4/20 0.41
HSD11B1 P28845 1/20 0.40
CA9 Q16790 1/20 0.39
CXCR2 P25025 2/20 0.38
ALDH1A1 P00352 1/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
CXCR1 P25024 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
KIF11 P52732 1/20 0.36
HTR2C P28335 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35

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
SCHEMBL7597749 0.89 CA1 (0.37) CA1CA2HTR1DHTR1AHTR1B
SCHEMBL28741512 0.85 KIF11 (0.45) CA1CA2HTR1DHTR1AHTR1B
SCHEMBL17356309 0.85 HTR1D (0.43) CA1CA2HTR1DHTR1AHTR1B
SCHEMBL22444632 0.84 MRGPRX4 (0.45) CA1CA2HTR1DHTR1AHTR1B
SCHEMBL3902735 0.82 HSD11B1 (0.46) CA1CA2HTR1DHTR1AHTR1B
SCHEMBL17094652 0.80 CXCR2 (0.42) CA1CA2HTR1DHTR1AHTR1B
SCHEMBL2473229 0.80 AR (0.56)
SCHEMBL4056753 0.79 CA1 (0.51) CA1CA2HTR1DHTR1AHTR1B
SCHEMBL576035 0.79 CA2 (0.50) CA1CA2HTR1DHTR1AHTR1B
SCHEMBL3901554 0.76 CFTR (0.44) CA1CA2HSD11B1CA9CXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020042541-A1 Process for producing bis( trifluoromethyl)benzaldehyde CENTRAL GLASS COMPANY, LIMITED (JP) 2002-04-11 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 (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-20020042541-A1 Process for producing bis( trifluoromethyl)benzaldehyde BRPF1, PFAS, FLI1 CA1 1253/4885CA2 454/4885HTR1D 2557/4885

“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.