SCHEMBL3226500

SCHEMBL3226500

[O]S(=O)(=O)ONc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.43
KEAP1 Q14145 2/20 0.43
CA1 P00915 2/20 0.43
IL1RN P18510 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
PKM P14618 1/20 0.39
TDP1 Q9NUW8 3/20 0.38
HSD17B10 Q99714 2/20 0.38
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
CTSD P07339 1/20 0.38
ACP1 P24666 2/20 0.36
TSHR P16473 3/20 0.36
MAPK1 P28482 2/20 0.36
PTGS2 P35354 2/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36

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
SCHEMBL9543035 0.83 CA2 (0.44) CA2KEAP1CA1IL1RNERAP1
SCHEMBL27848346 0.79 CA1 (0.52) CA2KEAP1CA1IL1RNERAP1
SCHEMBL9492832 0.79 KEAP1 (0.52) CA2KEAP1CA1IL1RNERAP1
SCHEMBL10579140 0.79 CA2 (0.41) CA2KEAP1CA1IL1RNERAP1
SCHEMBL9009533 0.79 ACP1 (0.44) CA2KEAP1CA1IL1RNERAP1
SCHEMBL4575734 0.77 KEAP1 (0.50) CA2KEAP1CA1IL1RNERAP1
SCHEMBL22187497 0.77 KEAP1 (0.48) CA2KEAP1CA1IL1RNERAP1
Hydrochloric Acid SCHEMBL10526609 0.77 KEAP1 (0.50) CA2KEAP1CA1IL1RNERAP1
SCHEMBL29446941 0.77 KEAP1 (0.50) CA2KEAP1CA1IL1RNERAP1
SCHEMBL8854036 0.76 CA2 (0.39) CA2KEAP1CA1IL1RNERAP1

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-20100056478-A1 Useful Combinations of Monobactam Antibiotics With Beta-Lactamase Inhibitors BASILEA PHARMACEUTICA AG (CH) 2010-03-04 US claimed

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-20100056478-A1 Useful Combinations of Monobactam Antibiotics With Beta-Lactamase Inhibitors MGAM, MGAM2, B2M CA2 1007/4885KEAP1 2107/4885CA1 2317/4885

“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.