SCHEMBL10064653

SCHEMBL10064653

NNc1ccc(S(=O)(=O)O)cc1I

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 16/20 0.49
CA1 P00915 15/20 0.49
CA9 Q16790 3/20 0.49
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 2/20 0.41
NT5E P21589 1/20 0.41
TIMP3 P35625 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL21589350 0.81 ALDH1A1 (0.55) CA2CA1CA9ALDH1A1HSD17B10
SCHEMBL21589351 0.79 ALDH1A1 (0.58) CA2CA1CA9ALDH1A1HSD17B10
SCHEMBL11721290 0.78 CA2 (0.71) CA2CA1CA9ALDH1A1HSD17B10
SCHEMBL11715144 0.78 CA1 (0.43) CA2CA1CA9ALDH1A1HSD17B10
SCHEMBL13978696 0.77 CA1 (0.74) CA2CA1CA9TIMP3
SCHEMBL5193607 0.76 ALDH1A1 (0.59) CA2CA1CA9ALDH1A1HSD17B10
SCHEMBL8752027 0.76 ALDH1A1 (0.58) CA2CA1CA9ALDH1A1HSD17B10
SCHEMBL5009133 0.76 ALDH1A1 (0.44) CA2CA1CA9ALDH1A1HSD17B10
SCHEMBL10064648 0.75 CA1 (0.68) CA2CA1CA9ALDH1A1HSD17B10
SCHEMBL11717245 0.74 ALDH1A1 (0.51) CA2CA1CA9ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110597-B2 Radioactive isotope-labeled dye compound FUJIFILM CORPORATION (JP) 2012-02-07 US disclosed
US-20110263872-A1 RADIOACTIVE ISOTOPE-LABELED DYE COMPOUND FUJIFILM CORPORATION (JP) 2011-10-27 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-20110263872-A1 RADIOACTIVE ISOTOPE-LABELED DYE COMPOUND IK, PRMT1, PRMT3 CA2 4313/4885CA1 2679/4885CA9 1742/4885

“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.