SCHEMBL31433420

SCHEMBL31433420

COc1ccc(C=O)cc1S(=O)(=O)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.59
TSHR P16473 1/20 0.59
AOX1 Q06278 1/20 0.54
FDPS P14324 1/20 0.51
HPGD P15428 5/20 0.50
TRIM24 O15164 1/20 0.50
ALDH5A1 P51649 1/20 0.50
ABAT P80404 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TRIM33 Q9UPN9 1/20 0.50
TTR P02766 1/20 0.47
POLB P06746 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A3 P47895 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL6362025 0.83 ALDH1A1 (0.59) ALDH1A1TSHRAOX1FDPSHPGD
SCHEMBL23200984 0.83 ALDH1A1 (0.59) ALDH1A1TSHRAOX1FDPSHPGD
SCHEMBL2944791 0.81 ALDH1A1 (0.58) ALDH1A1TSHRAOX1FDPSHPGD
SCHEMBL2944789 0.81 ALDH1A1 (0.62) ALDH1A1TSHRAOX1FDPSHPGD
SCHEMBL29786781 0.81 ALDH1A1 (0.62) ALDH1A1TSHRAOX1FDPSHPGD
SCHEMBL3243188 0.80 ALDH1A1 (0.56) ALDH1A1TSHRAOX1FDPSHPGD
SCHEMBL17318087 0.78 ALDH1A1 (0.68) ALDH1A1TSHRAOX1FDPSHPGD
SCHEMBL17318083 0.78 ALDH1A1 (0.68) ALDH1A1TSHRAOX1FDPSHPGD
SCHEMBL9700245 0.77 CYP2A6 (0.40) ALDH1A1TSHRAOX1HPGDTRIM24
3,4-Dimethoxybenzaldehyde SCHEMBL5308959 0.75 ALDH1A1 (1.00) ALDH1A1TSHRAOX1FDPSHPGD

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-20250074942-A1 COMPOSITIONS AND METHODS FOR COVALENT PEPTIDE-BASED MODULATORS OF HLA-E CALICO LIFE SCIENCES LLC (US) 2025-03-06 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-20250074942-A1 COMPOSITIONS AND METHODS FOR COVALENT PEPTIDE-BASED MODULATORS OF HLA-E MICA, CD74, HLA-DRB1 ALDH1A1 3213/4885TSHR 4329/4885AOX1 3085/4885

“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.