SCHEMBL21998659

SCHEMBL21998659

CCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.74
CA2 P00918 3/20 0.74
CA12 O43570 2/20 0.67
CA9 Q16790 2/20 0.67
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
ENPP2 Q13822 1/20 0.58
DGAT2 Q96PD7 1/20 0.58
PSMB11 A5LHX3 1/20 0.58
PSMA7 O14818 1/20 0.58
PSMB1 P20618 1/20 0.58
PSMA1 P25786 1/20 0.58
PSMA2 P25787 1/20 0.58
PSMA3 P25788 1/20 0.58
PSMA4 P25789 1/20 0.58
PSMB8 P28062 1/20 0.58
PSMB9 P28065 1/20 0.58
PSMA5 P28066 1/20 0.58

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
SCHEMBL7946958 1.00 CA1 (0.74) CA1CA2CA12CA9MEN1
SCHEMBL20313716 0.92 KMT2A (0.66) CA1CA2CA12CA9MEN1
SCHEMBL20972344 0.90 CA1 (0.61) CA1CA2CA12CA9MEN1
SCHEMBL11340884 0.90 CA1 (0.72) CA1CA2CA12CA9MEN1
SCHEMBL11476736 0.90 CA1 (0.72) CA1CA2CA12CA9MEN1
SCHEMBL13714818 0.88 CA1 (0.58) CA1CA2CA12CA9MEN1
SCHEMBL12994196 0.87 CA1 (0.73) CA1CA2CA12CA9MEN1
SCHEMBL9858666 0.87 ENPP2 (0.71) CA1CA2CA12CA9ALDH1A1
SCHEMBL9510547 0.87 ENPP2 (0.71) CA1CA2CA12CA9ALDH1A1
SCHEMBL675018 0.87 ENPP2 (0.71) CA1CA2CA12CA9ALDH1A1

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-20200148937-A1 INHIBITING HYDROCARBON HYDRATE AGGLOMERATION COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2020-05-14 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-20200148937-A1 INHIBITING HYDROCARBON HYDRATE AGGLOMERATION H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, AHR, SHH CA1 1365/4885CA2 2444/4885CA12 1504/4885

“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.