SCHEMBL3106038

SCHEMBL3106038

Cc1cc(C(=O)N2CCOCC2)nn1-c1ccc(S(N)(=O)=O)cn1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.58
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA9 Q16790 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CA2 P00918 1/20 0.43
SLC6A9 P48067 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CHRNA7 P36544 1/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL3100167 0.88 L3MBTL1 (0.47) PTGS2CA1CA9L3MBTL1CA2
SCHEMBL3112808 0.81 PTGS2 (0.46) PTGS2CA12CA1CA9L3MBTL1
SCHEMBL3117954 0.80 PTGS2 (0.57) PTGS2CA12CA1CA9SLC6A9
SCHEMBL3107305 0.80 CHRNA7 (0.44) PTGS2CA12CA1CA9L3MBTL1
SCHEMBL3111574 0.78 BAZ2B (0.45) PTGS2CA12CA1CA9L3MBTL1
SCHEMBL3106812 0.78 CHRNA7 (0.42) PTGS2CA12CA1CA9L3MBTL1
SCHEMBL3102148 0.77 PTGS2 (0.53) PTGS2CA2SLC6A9
SCHEMBL3103020 0.76 CA9 (0.55) PTGS2CA12CA1CA9CA2
SCHEMBL3106608 0.74 PTGS2 (0.54) PTGS2
SCHEMBL3101658 0.74 PTGS2 (0.54) PTGS2CA1CA9CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256357-A1 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE AGOURON PHARMACEUTICALS, INC. 2010-10-07 US disclosed
US-20100256357-A1 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE AGOURON PHARMACEUTICALS, INC. 2010-10-07 US disclosed
US-20100256357-A1 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE AGOURON PHARMACEUTICALS, INC. 2010-10-07 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-20100256357-A1 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE CA2, CA7, CA9 PTGS2 47/4885CA12 8/4885CA1 7/4885

“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.