SCHEMBL22461371

SCHEMBL22461371

CC(C)(C)C(=O)NCCNc1cccc2c(S(=O)(=O)O)cccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA7 P43166 2/20 0.47
CA14 Q9ULX7 2/20 0.47
CA12 O43570 1/20 0.47
CA4 P22748 1/20 0.47
CA9 Q16790 1/20 0.47
CYP1A2 P05177 1/20 0.41
TTR P02766 1/20 0.41
POLB P06746 1/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
NSD2 O96028 1/20 0.36
NPY5R Q15761 1/20 0.36
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
CNR1 P21554 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
SCHEMBL6128009 0.86 CA12 (0.63) CA7CA14CA12CA4CA9
SCHEMBL134374 0.85 CA12 (0.47) CA7CA14CA12CA4CA9
SCHEMBL21347987 0.84 CA12 (0.47) CA7CA14CA12CA4CA9
SCHEMBL21347989 0.84 CA12 (0.47) CA7CA14CA12CA4CA9
SCHEMBL10035100 0.84 MALT1 (0.48) CA7CA14CA12CA4CA9
SCHEMBL24177208 0.83 CYP1A2 (0.46) CA7CA14CA12CA4CA9
SCHEMBL12041802 0.82 TTR (0.44) CA7CA14CA12CA4CA9
SCHEMBL12221061 0.82 TTR (0.46) CA7CA14CA12CA4CA9
SCHEMBL25745 0.82 CA12 (0.44) CA7CA14CA12CA4CA9
SCHEMBL29358898 0.82 CA12 (0.44) CA7CA14CA12CA4CA9

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-20200298194-A1 ARAMID AMPHIPHILE SELF-ASSEMBLED NANOSTRUCTURES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-09-24 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-20200298194-A1 ARAMID AMPHIPHILE SELF-ASSEMBLED NANOSTRUCTURES ANXA6, ANXA1, ANXA11 CA7 3020/4885CA14 1278/4885CA12 2211/4885

“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.